Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 3-chlorophenyl ester

InChI

InChI=1S/C15H17ClO4/c1-11(2)8-9-19-14(17)6-7-15(18)20-13-5-3-4-12(16)10-13/h3-5,8,10H,6-7,9H2,1-2H3

InChI Key

VRFBRLUEUODCLW-UHFFFAOYSA-N

Formula

C15H17ClO4

SMILES

CC(C)=CCOC(=O)CCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

296.75

• 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 (... Calculated Property
ΔfG°	-229.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-670.05	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.92	kJ/mol	Joback Calculated Property
ΔvapH°	90.56	kJ/mol	Relay (... Calculated Property
IE	8.50	eV	Relay (... Calculated Property
log10WS	-4.65		Relay (... Calculated Property
logPoct/wat	3.535		Crippen Calculated Property
McVol	221.270	ml/mol	McGowan Calculated Property
Pc	2010.90	kPa	Joback Calculated Property
Inp	[2151.00; 2151.00]
Inp	2151.00		NIST
Inp	2151.00		NIST
Tboil	610.13	K	Relay (... Calculated Property
Tc	811.54	K	Relay (... Calculated Property
Tfus	308.43	K	Relay (... Calculated Property
Vc	0.792	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[594.63; 660.63]	J/mol×K	[768.31; 984.84]
Cp,gas	594.63	J/mol×K	768.31	Joback Calculated Property
Cp,gas	607.92	J/mol×K	804.40	Joback Calculated Property
Cp,gas	620.26	J/mol×K	840.49	Joback Calculated Property
Cp,gas	631.67	J/mol×K	876.58	Joback Calculated Property
Cp,gas	642.18	J/mol×K	912.67	Joback Calculated Property
Cp,gas	651.83	J/mol×K	948.75	Joback Calculated Property
Cp,gas	660.63	J/mol×K	984.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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