Chemical Properties of Succinic acid, cyclohexylmethyl 3-fluorophenyl ester

InChI

InChI=1S/C17H21FO4/c18-14-7-4-8-15(11-14)22-17(20)10-9-16(19)21-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12H2

InChI Key

GNGPJCZYNFYNJH-UHFFFAOYSA-N

Formula

C17H21FO4

SMILES

O=C(CCC(=O)Oc1cccc(F)c1)OCC1CCCCC1

Molecular Weight¹

308.34

• 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°	-443.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-800.54	kJ/mol	Joback Calculated Property
ΔfusH°	33.93	kJ/mol	Joback Calculated Property
ΔvapH°	74.30	kJ/mol	Joback Calculated Property
log10WS	-4.40		Crippen Calculated Property
logPoct/wat	3.635		Crippen Calculated Property
McVol	232.420	ml/mol	McGowan Calculated Property
Pc	1920.30	kPa	Joback Calculated Property
Inp	[2210.00; 2210.00]
Inp	2210.00		NIST
Inp	2210.00		NIST
Tboil	791.42	K	Joback Calculated Property
Tc	1009.64	K	Joback Calculated Property
Tfus	472.58	K	Joback Calculated Property
Vc	0.878	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[706.12; 784.49]	J/mol×K	[791.42; 1009.64]
Cp,gas	706.12	J/mol×K	791.42	Joback Calculated Property
Cp,gas	722.45	J/mol×K	827.79	Joback Calculated Property
Cp,gas	737.45	J/mol×K	864.16	Joback Calculated Property
Cp,gas	751.12	J/mol×K	900.53	Joback Calculated Property
Cp,gas	763.51	J/mol×K	936.90	Joback Calculated Property
Cp,gas	774.62	J/mol×K	973.27	Joback Calculated Property
Cp,gas	784.49	J/mol×K	1009.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 3-fluorophenyl ester.

Sources

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

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