Chemical Properties of Succinic acid, 2-fluorophenyl but-2-en-1-yl ester

InChI

InChI=1S/C14H15FO4/c1-2-3-10-18-13(16)8-9-14(17)19-12-7-5-4-6-11(12)15/h2-7H,8-10H2,1H3/b3-2+

InChI Key

BSDSKJLWRBUWHE-NSCUHMNNSA-N

Formula

C14H15FO4

SMILES

CC=CCOC(=O)CCC(=O)Oc1ccccc1F

Molecular Weight¹

266.26

• 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	0.6781		Relay (... Calculated Property
ΔfG°	-412.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-807.30	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.52	kJ/mol	Joback Calculated Property
ΔvapH°	84.91	kJ/mol	Relay (... Calculated Property
IE	8.58	eV	Relay (... Calculated Property
log10WS	-3.38		Relay (... Calculated Property
logPoct/wat	2.631		Crippen Calculated Property
McVol	196.710	ml/mol	McGowan Calculated Property
Pc	2169.38	kPa	Joback Calculated Property
Inp	[1877.00; 1877.00]
Inp	1877.00		NIST
Inp	1877.00		NIST
Tboil	566.23	K	Relay (... Calculated Property
Tc	773.52	K	Relay (... Calculated Property
Tfus	296.71	K	Relay (... Calculated Property
Vc	0.704	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.47; 591.42]	J/mol×K	[707.39; 912.44]
Cp,gas	524.47	J/mol×K	707.39	Joback Calculated Property
Cp,gas	537.67	J/mol×K	741.57	Joback Calculated Property
Cp,gas	550.04	J/mol×K	775.74	Joback Calculated Property
Cp,gas	561.57	J/mol×K	809.92	Joback Calculated Property
Cp,gas	572.30	J/mol×K	844.09	Joback Calculated Property
Cp,gas	582.24	J/mol×K	878.27	Joback Calculated Property
Cp,gas	591.42	J/mol×K	912.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl but-2-en-1-yl ester.

Sources

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

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