Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 2-chloro-4-methylphenyl ester

InChI

InChI=1S/C16H19ClO4/c1-11(2)8-9-20-15(18)6-7-16(19)21-14-5-4-12(3)10-13(14)17/h4-5,8,10H,6-7,9H2,1-3H3

InChI Key

RSYRNPMUKHQPBL-UHFFFAOYSA-N

Formula

C16H19ClO4

SMILES

CC(C)=CCOC(=O)CCC(=O)Oc1ccc(C)cc1Cl

Molecular Weight¹

310.77

• 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).
• 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
ΔfG°	-231.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-557.89	kJ/mol	Joback Calculated Property
ΔfusH°	39.12	kJ/mol	Joback Calculated Property
ΔvapH°	77.54	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	3.843		Crippen Calculated Property
McVol	235.360	ml/mol	McGowan Calculated Property
Pc	1824.72	kPa	Joback Calculated Property
Inp	[2256.00; 2256.00]
Inp	2256.00		NIST
Inp	2256.00		NIST
Tboil	796.17	K	Joback Calculated Property
Tc	1011.06	K	Joback Calculated Property
Tfus	476.74	K	Joback Calculated Property
Vc	0.901	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[648.10; 715.30]	J/mol×K	[796.17; 1011.06]
Cp,gas	648.10	J/mol×K	796.17	Joback Calculated Property
Cp,gas	661.64	J/mol×K	831.98	Joback Calculated Property
Cp,gas	674.22	J/mol×K	867.80	Joback Calculated Property
Cp,gas	685.85	J/mol×K	903.61	Joback Calculated Property
Cp,gas	696.55	J/mol×K	939.43	Joback Calculated Property
Cp,gas	706.36	J/mol×K	975.24	Joback Calculated Property
Cp,gas	715.30	J/mol×K	1011.06	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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