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

InChI

InChI=1S/C17H17F5O4/c1-2-25-16(23)8-5-3-4-6-9(8)17(24)26-7-10-11(18)13(20)15(22)14(21)12(10)19/h8-9H,2-7H2,1H3

InChI Key

OAXRYCICPBPTBP-UHFFFAOYSA-N

Formula

C17H17F5O4

SMILES

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

Molecular Weight¹

380.31

• 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°	-1268.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1651.20	kJ/mol	Joback Calculated Property
ΔfusH°	45.76	kJ/mol	Joback Calculated Property
ΔvapH°	73.37	kJ/mol	Joback Calculated Property
log10WS	-5.33		Crippen Calculated Property
logPoct/wat	3.795		Crippen Calculated Property
McVol	239.500	ml/mol	McGowan Calculated Property
Pc	1531.86	kPa	Joback Calculated Property
Inp	[1917.00; 1917.00]
Inp	1917.00		NIST
Inp	1917.00		NIST
Tboil	803.75	K	Joback Calculated Property
Tc	1000.30	K	Joback Calculated Property
Tfus	520.78	K	Joback Calculated Property
Vc	0.950	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.58; 804.84]	J/mol×K	[803.75; 1000.30]
Cp,gas	736.58	J/mol×K	803.75	Joback Calculated Property
Cp,gas	750.72	J/mol×K	836.51	Joback Calculated Property
Cp,gas	763.76	J/mol×K	869.27	Joback Calculated Property
Cp,gas	775.70	J/mol×K	902.02	Joback Calculated Property
Cp,gas	786.53	J/mol×K	934.78	Joback Calculated Property
Cp,gas	796.25	J/mol×K	967.54	Joback Calculated Property
Cp,gas	804.84	J/mol×K	1000.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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