Chemical Properties of Succinic acid, 3-methylbut-2-yl 2-fluorophenyl ester

InChI

InChI=1S/C15H19FO4/c1-10(2)11(3)19-14(17)8-9-15(18)20-13-7-5-4-6-12(13)16/h4-7,10-11H,8-9H2,1-3H3

InChI Key

LDVSDPOSCPKSFY-UHFFFAOYSA-N

Formula

C15H19FO4

SMILES

CC(C)C(C)OC(=O)CCC(=O)Oc1ccccc1F

Molecular Weight¹

282.31

• 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	0.7133		Relay (1.0) Calculated Property
ΔfG°	-489.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-944.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.87	kJ/mol	Joback Calculated Property
ΔvapH°	81.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	3.099		Crippen Calculated Property
McVol	215.100	ml/mol	McGowan Calculated Property
Pc	1925.36	kPa	Joback Calculated Property
Inp	[1822.00; 1822.00]
Inp	1822.00		NIST
Inp	1822.00		NIST
Tboil	561.91	K	Relay (1.0) Calculated Property
Tc	770.14	K	Relay (1.0) Calculated Property
Tfus	312.64	K	Relay (1.0) Calculated Property
Vc	0.784	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[602.53; 676.43]	J/mol×K	[725.23; 927.82]
Cp,gas	602.53	J/mol×K	725.23	Joback Calculated Property
Cp,gas	617.19	J/mol×K	758.99	Joback Calculated Property
Cp,gas	630.90	J/mol×K	792.76	Joback Calculated Property
Cp,gas	643.67	J/mol×K	826.52	Joback Calculated Property
Cp,gas	655.51	J/mol×K	860.29	Joback Calculated Property
Cp,gas	666.43	J/mol×K	894.05	Joback Calculated Property
Cp,gas	676.43	J/mol×K	927.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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