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

InChI

InChI=1S/C23H29F5O4/c1-2-3-4-5-6-9-12-31-22(29)14-10-7-8-11-15(14)23(30)32-13-16-17(24)19(26)21(28)20(27)18(16)25/h14-15H,2-13H2,1H3

InChI Key

LTGVCBUZBCGJPT-UHFFFAOYSA-N

Formula

C23H29F5O4

SMILES

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

Molecular Weight¹

464.47

• 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°	-1218.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-1775.04	kJ/mol	Joback Calculated Property
ΔfusH°	61.30	kJ/mol	Joback Calculated Property
ΔvapH°	86.72	kJ/mol	Joback Calculated Property
log10WS	-7.84		Crippen Calculated Property
logPoct/wat	6.135		Crippen Calculated Property
McVol	324.040	ml/mol	McGowan Calculated Property
Pc	1020.08	kPa	Joback Calculated Property
Inp	[2544.00; 2544.00]
Inp	2544.00		NIST
Inp	2544.00		NIST
Tboil	941.03	K	Joback Calculated Property
Tc	1152.09	K	Joback Calculated Property
Tfus	588.40	K	Joback Calculated Property
Vc	1.286	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1089.86; 1157.12]	J/mol×K	[941.03; 1152.09]
Cp,gas	1089.86	J/mol×K	941.03	Joback Calculated Property
Cp,gas	1104.99	J/mol×K	976.21	Joback Calculated Property
Cp,gas	1118.53	J/mol×K	1011.38	Joback Calculated Property
Cp,gas	1130.50	J/mol×K	1046.56	Joback Calculated Property
Cp,gas	1140.92	J/mol×K	1081.74	Joback Calculated Property
Cp,gas	1149.78	J/mol×K	1116.91	Joback Calculated Property
Cp,gas	1157.12	J/mol×K	1152.09	Joback Calculated Property

Similar Compounds

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

Sources

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

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