Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl decyl ester

InChI

InChI=1S/C18H31F3O4/c1-3-4-5-6-7-8-9-10-14-24-16(22)12-11-13-17(23)25-15(2)18(19,20)21/h15H,3-14H2,1-2H3

InChI Key

VQRFELYDJZSMJK-UHFFFAOYSA-N

Formula

C18H31F3O4

SMILES

CCCCCCCCCCOC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

368.43

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9425		Relay (1.0) Calculated Property
ΔfG°	-951.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1671.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.25	kJ/mol	Joback Calculated Property
ΔvapH°	88.17	kJ/mol	Relay (1.0) Calculated Property
IE	10.04	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	5.335		Crippen Calculated Property
McVol	284.670	ml/mol	McGowan Calculated Property
Pc	1139.80	kPa	Joback Calculated Property
Inp	[1941.00; 1941.00]
Inp	1941.00		NIST
Inp	1941.00		NIST
Tboil	577.73	K	Relay (1.0) Calculated Property
Tc	718.53	K	Relay (1.0) Calculated Property
Tfus	279.91	K	Relay (1.0) Calculated Property
Vc	1.077	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[874.33; 960.58]	J/mol×K	[757.96; 932.27]
Cp,gas	874.33	J/mol×K	757.96	Joback Calculated Property
Cp,gas	890.88	J/mol×K	787.01	Joback Calculated Property
Cp,gas	906.53	J/mol×K	816.06	Joback Calculated Property
Cp,gas	921.30	J/mol×K	845.12	Joback Calculated Property
Cp,gas	935.22	J/mol×K	874.17	Joback Calculated Property
Cp,gas	948.30	J/mol×K	903.22	Joback Calculated Property
Cp,gas	960.58	J/mol×K	932.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl decyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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