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

InChI

InChI=1S/C21H25F5O4/c1-2-3-4-7-10-29-20(27)12-8-5-6-9-13(12)21(28)30-11-14-15(22)17(24)19(26)18(25)16(14)23/h12-13H,2-11H2,1H3

InChI Key

RIQDDLPINIGHDM-UHFFFAOYSA-N

Formula

C21H25F5O4

SMILES

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

Molecular Weight¹

436.41

• 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°	-1234.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1733.76	kJ/mol	Joback Calculated Property
ΔfusH°	56.12	kJ/mol	Joback Calculated Property
ΔvapH°	82.27	kJ/mol	Joback Calculated Property
log10WS	-7.01		Crippen Calculated Property
logPoct/wat	5.355		Crippen Calculated Property
McVol	295.860	ml/mol	McGowan Calculated Property
Pc	1157.71	kPa	Joback Calculated Property
Inp	[2342.00; 2342.00]
Inp	2342.00		NIST
Inp	2342.00		NIST
Tboil	895.27	K	Joback Calculated Property
Tc	1098.18	K	Joback Calculated Property
Tfus	565.86	K	Joback Calculated Property
Vc	1.173	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[969.64; 1038.11]	J/mol×K	[895.27; 1098.18]
Cp,gas	969.64	J/mol×K	895.27	Joback Calculated Property
Cp,gas	984.49	J/mol×K	929.09	Joback Calculated Property
Cp,gas	997.95	J/mol×K	962.91	Joback Calculated Property
Cp,gas	1010.04	J/mol×K	996.73	Joback Calculated Property
Cp,gas	1020.76	J/mol×K	1030.54	Joback Calculated Property
Cp,gas	1030.11	J/mol×K	1064.36	Joback Calculated Property
Cp,gas	1038.11	J/mol×K	1098.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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