Chemical Properties of Succinic acid, 2-fluorophenyl 2,3-dimethylphenyl ester

InChI

InChI=1S/C18H17FO4/c1-12-6-5-9-15(13(12)2)22-17(20)10-11-18(21)23-16-8-4-3-7-14(16)19/h3-9H,10-11H2,1-2H3

InChI Key

IIUMDBXSGZFGPW-UHFFFAOYSA-N

Formula

C18H17FO4

SMILES

Cc1cccc(OC(=O)CCC(=O)Oc2ccccc2F)c1C

Molecular Weight¹

316.32

• 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	0.7885		Relay (1.0) Calculated Property
ΔfG°	-366.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-780.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.95	kJ/mol	Joback Calculated Property
ΔvapH°	103.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-4.60		Relay (1.0) Calculated Property
logPoct/wat	3.734		Crippen Calculated Property
McVol	233.610	ml/mol	McGowan Calculated Property
Pc	1920.30	kPa	Joback Calculated Property
Inp	[2411.00; 2411.00]
Inp	2411.00		NIST
Inp	2411.00		NIST
Tboil	624.80	K	Relay (1.0) Calculated Property
Tc	888.43	K	Relay (1.0) Calculated Property
Tfus	361.02	K	Relay (1.0) Calculated Property
Vc	0.859	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[673.21; 735.19]	J/mol×K	[831.39; 1053.79]
Cp,gas	673.21	J/mol×K	831.39	Joback Calculated Property
Cp,gas	686.40	J/mol×K	868.46	Joback Calculated Property
Cp,gas	698.42	J/mol×K	905.52	Joback Calculated Property
Cp,gas	709.29	J/mol×K	942.59	Joback Calculated Property
Cp,gas	719.03	J/mol×K	979.66	Joback Calculated Property
Cp,gas	727.66	J/mol×K	1016.73	Joback Calculated Property
Cp,gas	735.19	J/mol×K	1053.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl 2,3-dimethylphenyl ester.

Sources

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

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