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

InChI

InChI=1S/C20H35F3O4/c1-3-4-5-6-7-8-9-10-11-12-16-26-18(24)14-13-15-19(25)27-17(2)20(21,22)23/h17H,3-16H2,1-2H3

InChI Key

VXKVKGVGRLXIJL-UHFFFAOYSA-N

Formula

C20H35F3O4

SMILES

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

Molecular Weight¹

396.48

• 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	1.0143		Relay (1.0) Calculated Property
ΔfG°	-934.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1710.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.43	kJ/mol	Joback Calculated Property
ΔvapH°	95.97	kJ/mol	Relay (1.0) Calculated Property
IE	10.07	eV	Relay (1.0) Calculated Property
log10WS	-5.74		Relay (1.0) Calculated Property
logPoct/wat	6.115		Crippen Calculated Property
McVol	312.850	ml/mol	McGowan Calculated Property
Pc	1005.26	kPa	Joback Calculated Property
Inp	[2139.00; 2139.00]
Inp	2139.00		NIST
Inp	2139.00		NIST
Tboil	598.33	K	Relay (1.0) Calculated Property
Tc	738.64	K	Relay (1.0) Calculated Property
Tfus	289.77	K	Relay (1.0) Calculated Property
Vc	1.186	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[992.95; 1083.27]	J/mol×K	[803.72; 984.66]
Cp,gas	992.95	J/mol×K	803.72	Joback Calculated Property
Cp,gas	1010.45	J/mol×K	833.88	Joback Calculated Property
Cp,gas	1026.93	J/mol×K	864.03	Joback Calculated Property
Cp,gas	1042.42	J/mol×K	894.19	Joback Calculated Property
Cp,gas	1056.95	J/mol×K	924.34	Joback Calculated Property
Cp,gas	1070.56	J/mol×K	954.50	Joback Calculated Property
Cp,gas	1083.27	J/mol×K	984.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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