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

InChI

InChI=1S/C29H41F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-37-28(35)20-16-13-14-17-21(20)29(36)38-19-22-23(30)25(32)27(34)26(33)24(22)31/h20-21H,2-19H2,1H3

InChI Key

SNYIBGQVLPRLLZ-UHFFFAOYSA-N

Formula

C29H41F5O4

SMILES

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

Molecular Weight¹

548.63

• 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°	-1167.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1898.88	kJ/mol	Joback Calculated Property
ΔfusH°	76.84	kJ/mol	Joback Calculated Property
ΔvapH°	100.08	kJ/mol	Joback Calculated Property
log10WS	-10.35		Crippen Calculated Property
logPoct/wat	8.476		Crippen Calculated Property
McVol	408.580	ml/mol	McGowan Calculated Property
Pc	727.70	kPa	Joback Calculated Property
Inp	[3169.00; 3169.00]
Inp	3169.00		NIST
Inp	3169.00		NIST
Tboil	1078.31	K	Joback Calculated Property
Tc	1340.56	K	Joback Calculated Property
Tfus	656.02	K	Joback Calculated Property
Vc	1.621	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1459.15; 1514.87]	J/mol×K	[1078.31; 1340.56]
Cp,gas	1459.15	J/mol×K	1078.31	Joback Calculated Property
Cp,gas	1474.98	J/mol×K	1122.02	Joback Calculated Property
Cp,gas	1488.12	J/mol×K	1165.73	Joback Calculated Property
Cp,gas	1498.61	J/mol×K	1209.43	Joback Calculated Property
Cp,gas	1506.53	J/mol×K	1253.14	Joback Calculated Property
Cp,gas	1511.93	J/mol×K	1296.85	Joback Calculated Property
Cp,gas	1514.87	J/mol×K	1340.56	Joback Calculated Property

Similar Compounds

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

Sources

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

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