Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, dodecyl pentafluorobenzyl ester

InChI

InChI=1S/C27H37F5O4/c1-2-3-4-5-6-7-8-9-10-13-16-35-26(33)18-14-11-12-15-19(18)27(34)36-17-20-21(28)23(30)25(32)24(31)22(20)29/h18-19H,2-17H2,1H3

InChI Key

HWTHXOGHAHGKBG-UHFFFAOYSA-N

Formula

C27H37F5O4

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

520.57

• 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°	-1184.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1857.60	kJ/mol	Joback Calculated Property
ΔfusH°	71.66	kJ/mol	Joback Calculated Property
ΔvapH°	95.63	kJ/mol	Joback Calculated Property
log10WS	-9.52		Crippen Calculated Property
logPoct/wat	7.696		Crippen Calculated Property
McVol	380.400	ml/mol	McGowan Calculated Property
Pc	809.37	kPa	Joback Calculated Property
Inp	[2953.00; 2953.00]
Inp	2953.00		NIST
Inp	2953.00		NIST
Tboil	1032.55	K	Joback Calculated Property
Tc	1272.59	K	Joback Calculated Property
Tfus	633.48	K	Joback Calculated Property
Vc	1.510	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1335.06; 1396.42]	J/mol×K	[1032.55; 1272.59]
Cp,gas	1335.06	J/mol×K	1032.55	Joback Calculated Property
Cp,gas	1350.69	J/mol×K	1072.56	Joback Calculated Property
Cp,gas	1364.12	J/mol×K	1112.56	Joback Calculated Property
Cp,gas	1375.36	J/mol×K	1152.57	Joback Calculated Property
Cp,gas	1384.47	J/mol×K	1192.58	Joback Calculated Property
Cp,gas	1391.48	J/mol×K	1232.59	Joback Calculated Property
Cp,gas	1396.42	J/mol×K	1272.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl pentafluorobenzyl ester.

Sources

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

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