Chemical Properties of Glutaric acid, 2,2,2-triluoroethyl undecyl ester

InChI

InChI=1S/C18H31F3O4/c1-2-3-4-5-6-7-8-9-10-14-24-16(22)12-11-13-17(23)25-15-18(19,20)21/h2-15H2,1H3

InChI Key

FROVQKRBYAGMTL-UHFFFAOYSA-N

Formula

C18H31F3O4

SMILES

CCCCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)F

Molecular Weight¹

368.43

• 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).
• 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
ΔfG°	-948.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1501.53	kJ/mol	Joback Calculated Property
ΔfusH°	49.78	kJ/mol	Joback Calculated Property
ΔvapH°	70.23	kJ/mol	Joback Calculated Property
log10WS	-5.74		Crippen Calculated Property
logPoct/wat	5.336		Crippen Calculated Property
McVol	284.670	ml/mol	McGowan Calculated Property
Pc	1133.67	kPa	Joback Calculated Property
Inp	[2020.00; 2020.00]
Inp	2020.00		NIST
Inp	2020.00		NIST
Tboil	758.40	K	Joback Calculated Property
Tc	931.85	K	Joback Calculated Property
Tfus	441.13	K	Joback Calculated Property
Vc	1.135	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[873.84; 959.76]	J/mol×K	[758.40; 931.85]
Cp,gas	873.84	J/mol×K	758.40	Joback Calculated Property
Cp,gas	890.30	J/mol×K	787.31	Joback Calculated Property
Cp,gas	905.86	J/mol×K	816.22	Joback Calculated Property
Cp,gas	920.57	J/mol×K	845.12	Joback Calculated Property
Cp,gas	934.44	J/mol×K	874.03	Joback Calculated Property
Cp,gas	947.49	J/mol×K	902.94	Joback Calculated Property
Cp,gas	959.76	J/mol×K	931.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,2-triluoroethyl undecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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