Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C16H19FO5/c1-11(2)8-9-21-15(18)6-7-16(19)22-13-5-4-12(17)10-14(13)20-3/h4-5,8,10H,6-7,9H2,1-3H3

InChI Key

KDQKHJABYFIGLF-UHFFFAOYSA-N

Formula

C16H19FO5

SMILES

COc1cc(F)ccc1OC(=O)CCC(=O)OCC=C(C)C

Molecular Weight¹

310.32

• 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	0.7884		Relay (1.0) Calculated Property
ΔfG°	-518.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-991.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.19	kJ/mol	Joback Calculated Property
ΔvapH°	91.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	3.029		Crippen Calculated Property
McVol	230.760	ml/mol	McGowan Calculated Property
Pc	1786.37	kPa	Joback Calculated Property
Inp	[2160.00; 2160.00]
Inp	2160.00		NIST
Inp	2160.00		NIST
Tboil	608.00	K	Relay (1.0) Calculated Property
Tc	801.73	K	Relay (1.0) Calculated Property
Tfus	323.55	K	Relay (1.0) Calculated Property
Vc	0.839	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[657.49; 725.96]	J/mol×K	[780.43; 984.00]
Cp,gas	657.49	J/mol×K	780.43	Joback Calculated Property
Cp,gas	671.23	J/mol×K	814.36	Joback Calculated Property
Cp,gas	684.04	J/mol×K	848.29	Joback Calculated Property
Cp,gas	695.91	J/mol×K	882.21	Joback Calculated Property
Cp,gas	706.84	J/mol×K	916.14	Joback Calculated Property
Cp,gas	716.86	J/mol×K	950.07	Joback Calculated Property
Cp,gas	725.96	J/mol×K	984.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl 4-fluoro-2-methoxyphenyl ester.

Sources

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

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