Supporting Information
Table S1: Data on the oxygenate additive fluids studied in this work. In this table INChI is the International Chemical Identifier, and RMM is the relative molecular mass.
CAS No. 109-87-5 INChI = 1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3 RMM = 76.0944 Tboil = 42.2 °C Tfus = -105.0 °C Density = 0.86 g/mL (25 °C) Refractive index, Nad = 1.354 Flash Point = -18.0 °C Vapor density (relative to air) = 2.6
Synonyms: Dimethyl formal; Anesthenyl; Formal; Formaldehyde dimethyl acetal; Methoxymethyl methyl ether; Methylal; Methylene dimethyl ether; Methylene glycol dimethylether; Formaldehyde dimethyl; (CH3O)2CH2; Methylenedioxydimethane; Metylal; UN 1234; Formaldehyde methyl ketal; 2,4-Dioxapentane; Methyl formal; Dimethylacetal formaldehyde
butyl methyl ether:
O
CAS No. 628-28-4 INChI = 1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3 RMM = 88.1482 Tboil = 71.1 °C Tfus = -115.0 °C Density = 0.744 g/mL (25 °C) Refractive index, Nad = 1.374 Flash Point = -10.0 °C Vapor density (relative to air) = 3.04
Synonyms: Ether, butyl methyl; Methyl butyl ether; Methyl n-butyl ether; 1- Methoxybutane; n-C4H9OCH3; n-Butyl methyl ether; α-Methoxybutane 1,2-dimethoxyethane:
CAS No. 110-71-4 INChI = 1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3 RMM = 90.1210 Tboil = 85.0 °C Tfus = -69.2 °C Density = 0.867 g/mL (25 °C) Refractive index, Nad = 1.379 Flash Point = 5.0 °C Vapor density (relative to air) = 3.1
Synonyms: α,β-Dimethoxyethane; Dimethoxyethane; Dimethyl cellosolve; Ethylene dimethyl ether; Ethylene glycol dimethyl ether; Glycol dimethyl ether; Glyme; Monoethylene glycol dimethyl ether; Monoglyme; 1,2-Ethanediol dimethyl ether; 2,5- Dioxahexane; CH3OCH2CH2OCH3; UN 2252; Ansol E-121; DME; GDME
2-methoxyethyl acetate:
CAS No. 110-49-6 INChI = 1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3 RMM = 118.13 Tboil = 144.72 °C Tfus = -65.0 °C Density = 1.0090 g/mL (20 °C) Refractive index, Nad = 1.402 Flash Point = 46 °C Vapor density (relative to air) = 4.08
Synonyms: β-Methoxyethyl acetate; Ethylene glycol acetate monomethyl ether; Ethylene glycol methyl ether acetate; Ethylene glycol monomethyl ether acetate; Glycol monomethyl ether acetate; Methyl glycol acetate; 2-Methoxyethanol acetate; Acetic acid 2-methoxyethyl ester; Ethylene glycol methyl acetate; Methyl glycol monoacetate; 2- Methoxyethyl ester of acetic acid; (Z)--Methoxyethyl acetate 2-ethoxyethyl acetate
CAS No. 111-15-9 INChI = 1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3 RMM = 132.1577 Tboil = 156.5 °C Tfus = -61.7 °C Density = 0.975 g/mL (25 °C) Refractive index, Nad = 1.406 Flash Point = 54 °C Vapor density (relative to air) = 4.6
Synonyms: Ethanol, 2-ethoxy-, acetate; β-Ethoxyethyl acetate; Cellosolve acetate; Ethyl cellosolve acetate; Ethyl glycol acetate; Ethylene glycol ethyl ether acetate; Glycol monoethyl ether acetate; Oxitol acetate; Poly-Solv EE acetate; 1-Acetoxy-2- ethoxyethane; 2-Ethoxyethanol acetate; Ethoxy acetate; 2-Ethoxyethanol, ester with acetic acid; Ethoxyethyl acetate; Ethylene glycol monoethyl ether acetate; Acetic acid, 2- ethoxyethyl ester; UN 1172; 2-Ethoxyethyl ester of acetic acid; 2-Ethoxy etheracetate; 2EEA; EE acetate; EEA; Ethoxyethanol acetate; Ethyl acetyl glycolate; Ethylene glycol monethyl ether acetate; Sensolve EEA
diethylene glycol diethyl ether
CAS No. 112-36-7 INChI = 1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3 RMM = 162.2267 Tboil = 184.70 °C Tfus = -44.65 °C Density = 0.909 g/mL Refractive index, Nad = 1.412 Flash Point = 67 °C Vapor density (relative to air) = 5.6
Synonyms: Ether, bis(2-ethoxyethyl); Bis(2-ethoxyethyl) ether; Diethyl carbitol; Diethyldiethylene glycol; Diethylene glycol diethyl ether; Ethanol, 2,2'-oxybis-, diethyl ether; 2-(2-Ethoxyethoxy)-1-ethoxyethane; 3,6,9-Trioxaundecane; 2-Ethoxyethyl ether; Diethylene glycol dimethyl ether; Ethyldigol; Diethylether diethylenglykolu; 1-Ethoxy-2-(β-ethoxyethoxy)ethane; Ethyl diglyme; Ethane, 1,1'-oxybis*2-ethoxy-; Bis(2,2-diethoxyethyl) ether; 1-Ethoxy-2-(2-ethoxyethoxy)ethane Note: INChI is the IUPAC International Chemical Identifier, a textual identifier for chemical substances, designed to provide a standard and human-readable way to encode molecular information and to facilitate the search for such information in databases and on the web, developed by IUPAC and NIST during 2000-2005. RMM is the relative molecular mass