Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl cis-4-methylcyclohexyl ester

InChI

InChI=1S/C17H20ClFO4/c1-11-5-7-12(8-6-11)22-15(20)9-10-16(21)23-17-13(18)3-2-4-14(17)19/h2-4,11-12H,5-10H2,1H3

InChI Key

WJNVHCKAVKCFBU-UHFFFAOYSA-N

Formula

C17H20ClFO4

SMILES

CC1CCC(OC(=O)CCC(=O)Oc2c(F)cccc2Cl)CC1

Molecular Weight¹

342.79

• 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°	-472.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-848.09	kJ/mol	Joback Calculated Property
ΔfusH°	38.81	kJ/mol	Joback Calculated Property
ΔvapH°	79.04	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	4.287		Crippen Calculated Property
McVol	244.660	ml/mol	McGowan Calculated Property
Pc	1784.86	kPa	Joback Calculated Property
Inp	[2355.00; 2355.00]
Inp	2355.00		NIST
Inp	2355.00		NIST
Tboil	829.16	K	Joback Calculated Property
Tc	1051.23	K	Joback Calculated Property
Tfus	510.78	K	Joback Calculated Property
Vc	0.926	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.53; 805.69]	J/mol×K	[829.16; 1051.23]
Cp,gas	735.53	J/mol×K	829.16	Joback Calculated Property
Cp,gas	750.68	J/mol×K	866.17	Joback Calculated Property
Cp,gas	764.43	J/mol×K	903.18	Joback Calculated Property
Cp,gas	776.80	J/mol×K	940.20	Joback Calculated Property
Cp,gas	787.79	J/mol×K	977.21	Joback Calculated Property
Cp,gas	797.42	J/mol×K	1014.22	Joback Calculated Property
Cp,gas	805.69	J/mol×K	1051.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl cis-4-methylcyclohexyl ester.

Sources

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

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