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

InChI

InChI=1S/C24H31F5O4/c1-2-3-4-5-6-7-10-13-32-23(30)15-11-8-9-12-16(15)24(31)33-14-17-18(25)20(27)22(29)21(28)19(17)26/h15-16H,2-14H2,1H3

InChI Key

SEMOGNQNAXRGMB-UHFFFAOYSA-N

Formula

C24H31F5O4

SMILES

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

Molecular Weight¹

478.49

• 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°	-1209.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1795.68	kJ/mol	Joback Calculated Property
ΔfusH°	63.89	kJ/mol	Joback Calculated Property
ΔvapH°	88.95	kJ/mol	Joback Calculated Property
log10WS	-8.26		Crippen Calculated Property
logPoct/wat	6.526		Crippen Calculated Property
McVol	338.130	ml/mol	McGowan Calculated Property
Pc	960.29	kPa	Joback Calculated Property
Inp	[2644.00; 2644.00]
Inp	2644.00		NIST
Inp	2644.00		NIST
Tboil	963.91	K	Joback Calculated Property
Tc	1180.51	K	Joback Calculated Property
Tfus	599.67	K	Joback Calculated Property
Vc	1.341	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1150.65; 1216.93]	J/mol×K	[963.91; 1180.51]
Cp,gas	1150.65	J/mol×K	963.91	Joback Calculated Property
Cp,gas	1165.91	J/mol×K	1000.01	Joback Calculated Property
Cp,gas	1179.47	J/mol×K	1036.11	Joback Calculated Property
Cp,gas	1191.33	J/mol×K	1072.21	Joback Calculated Property
Cp,gas	1201.52	J/mol×K	1108.31	Joback Calculated Property
Cp,gas	1210.05	J/mol×K	1144.41	Joback Calculated Property
Cp,gas	1216.93	J/mol×K	1180.51	Joback Calculated Property

Similar Compounds

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

Sources

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

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