Chemical Properties of Glutaric acid, 2-fluorophenyl cis-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C21H29FO4/c1-21(2,3)15-11-13-16(14-12-15)25-19(23)9-6-10-20(24)26-18-8-5-4-7-17(18)22/h4-5,7-8,15-16H,6,9-14H2,1-3H3

InChI Key

QNOCRVOAUWZSEE-UHFFFAOYSA-N

Formula

C21H29FO4

SMILES

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

Molecular Weight¹

364.45

• 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°	-414.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-912.19	kJ/mol	Joback Calculated Property
ΔfusH°	37.94	kJ/mol	Joback Calculated Property
ΔvapH°	81.60	kJ/mol	Joback Calculated Property
log10WS	-5.94		Crippen Calculated Property
logPoct/wat	5.050		Crippen Calculated Property
McVol	288.780	ml/mol	McGowan Calculated Property
Pc	1392.29	kPa	Joback Calculated Property
Inp	[2506.00; 2506.00]
Inp	2506.00		NIST
Inp	2506.00		NIST
Tboil	875.04	K	Joback Calculated Property
Tc	1094.03	K	Joback Calculated Property
Tfus	515.84	K	Joback Calculated Property
Vc	1.091	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[944.39; 1024.75]	J/mol×K	[875.04; 1094.03]
Cp,gas	944.39	J/mol×K	875.04	Joback Calculated Property
Cp,gas	961.42	J/mol×K	911.54	Joback Calculated Property
Cp,gas	976.93	J/mol×K	948.04	Joback Calculated Property
Cp,gas	990.97	J/mol×K	984.54	Joback Calculated Property
Cp,gas	1003.58	J/mol×K	1021.04	Joback Calculated Property
Cp,gas	1014.83	J/mol×K	1057.54	Joback Calculated Property
Cp,gas	1024.75	J/mol×K	1094.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl cis-4-tert-butylcyclohexyl ester.

Sources

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

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