Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C20H26ClFO4/c1-20(2,3)13-7-9-14(10-8-13)25-17(23)11-12-18(24)26-19-15(21)5-4-6-16(19)22/h4-6,13-14H,7-12H2,1-3H3

InChI Key

JPAVLEODQIKQRW-UHFFFAOYSA-N

Formula

C20H26ClFO4

SMILES

CC(C)(C)C1CCC(OC(=O)CCC(=O)Oc2c(F)cccc2Cl)CC1

Molecular Weight¹

384.87

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7635		Relay (1.0) Calculated Property
ΔfG°	-444.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-960.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.16	kJ/mol	Joback Calculated Property
ΔvapH°	104.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-5.82		Relay (1.0) Calculated Property
logPoct/wat	5.313		Crippen Calculated Property
McVol	286.930	ml/mol	McGowan Calculated Property
Pc	1439.16	kPa	Joback Calculated Property
Inp	[2685.00; 2685.00]
Inp	2685.00		NIST
Inp	2685.00		NIST
Tboil	635.87	K	Relay (1.0) Calculated Property
Tc	889.95	K	Relay (1.0) Calculated Property
Tfus	381.14	K	Relay (1.0) Calculated Property
Vc	1.014	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[910.63; 981.25]	J/mol×K	[894.57; 1119.30]
Cp,gas	910.63	J/mol×K	894.57	Joback Calculated Property
Cp,gas	926.01	J/mol×K	932.02	Joback Calculated Property
Cp,gas	939.89	J/mol×K	969.48	Joback Calculated Property
Cp,gas	952.31	J/mol×K	1006.93	Joback Calculated Property
Cp,gas	963.32	J/mol×K	1044.39	Joback Calculated Property
Cp,gas	972.95	J/mol×K	1081.84	Joback Calculated Property
Cp,gas	981.25	J/mol×K	1119.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl trans-4-tert-butylcyclohexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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