Chemical Properties of Succinic acid, 2-fluorophenyl (2-methylcyclohex-1-en-1-yl)methyl ester

InChI

InChI=1S/C18H21FO4/c1-13-6-2-3-7-14(13)12-22-17(20)10-11-18(21)23-16-9-5-4-8-15(16)19/h4-5,8-9H,2-3,6-7,10-12H2,1H3

InChI Key

ZYMAWRYJCPOTPT-UHFFFAOYSA-N

Formula

C18H21FO4

SMILES

CC1=C(COC(=O)CCC(=O)Oc2ccccc2F)CCCC1

Molecular Weight¹

320.36

• 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	0.7248		Relay (1.0) Calculated Property
ΔfG°	-416.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-825.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.89	kJ/mol	Joback Calculated Property
ΔvapH°	96.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	3.945		Crippen Calculated Property
McVol	242.210	ml/mol	McGowan Calculated Property
Pc	1827.85	kPa	Joback Calculated Property
Inp	[2413.00; 2413.00]
Inp	2413.00		NIST
Inp	2413.00		NIST
Tboil	627.81	K	Relay (1.0) Calculated Property
Tc	848.90	K	Relay (1.0) Calculated Property
Tfus	334.19	K	Relay (1.0) Calculated Property
Vc	0.870	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[730.07; 801.14]	J/mol×K	[828.09; 1047.04]
Cp,gas	730.07	J/mol×K	828.09	Joback Calculated Property
Cp,gas	745.01	J/mol×K	864.58	Joback Calculated Property
Cp,gas	758.68	J/mol×K	901.07	Joback Calculated Property
Cp,gas	771.10	J/mol×K	937.57	Joback Calculated Property
Cp,gas	782.31	J/mol×K	974.06	Joback Calculated Property
Cp,gas	792.31	J/mol×K	1010.55	Joback Calculated Property
Cp,gas	801.14	J/mol×K	1047.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl (2-methylcyclohex-1-en-1-yl)methyl ester.

Sources

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

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