Chemical Properties of Succinic acid, 2-fluorophenyl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C20H27FO4/c1-20(2,3)14-8-10-15(11-9-14)24-18(22)12-13-19(23)25-17-7-5-4-6-16(17)21/h4-7,14-15H,8-13H2,1-3H3

InChI Key

ABHXSNRNAAWRIZ-UHFFFAOYSA-N

Formula

C20H27FO4

SMILES

CC(C)(C)C1CCC(OC(=O)CCC(=O)Oc2ccccc2F)CC1

Molecular Weight¹

350.42

• 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°	-422.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-891.55	kJ/mol	Joback Calculated Property
ΔfusH°	35.35	kJ/mol	Joback Calculated Property
ΔvapH°	79.37	kJ/mol	Joback Calculated Property
log10WS	-5.53		Crippen Calculated Property
logPoct/wat	4.659		Crippen Calculated Property
McVol	274.690	ml/mol	McGowan Calculated Property
Pc	1497.67	kPa	Joback Calculated Property
Inp	[2527.00; 2527.00]
Inp	2527.00		NIST
Inp	2527.00		NIST
Tboil	852.16	K	Joback Calculated Property
Tc	1072.51	K	Joback Calculated Property
Tfus	504.57	K	Joback Calculated Property
Vc	1.034	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.02; 965.97]	J/mol×K	[852.16; 1072.51]
Cp,gas	885.02	J/mol×K	852.16	Joback Calculated Property
Cp,gas	902.13	J/mol×K	888.89	Joback Calculated Property
Cp,gas	917.73	J/mol×K	925.61	Joback Calculated Property
Cp,gas	931.86	J/mol×K	962.34	Joback Calculated Property
Cp,gas	944.59	J/mol×K	999.06	Joback Calculated Property
Cp,gas	955.94	J/mol×K	1035.79	Joback Calculated Property
Cp,gas	965.97	J/mol×K	1072.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl trans-4-tert-butylcyclohexyl ester.

Sources

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

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