Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 3,5-dichlorophenyl ester

InChI

InChI=1S/C15H16Cl2O4/c1-10(2)5-6-20-14(18)3-4-15(19)21-13-8-11(16)7-12(17)9-13/h5,7-9H,3-4,6H2,1-2H3

InChI Key

LWLGTUXBCVTZDT-UHFFFAOYSA-N

Formula

C15H16Cl2O4

SMILES

CC(C)=CCOC(=O)CCC(=O)Oc1cc(Cl)cc(Cl)c1

Molecular Weight¹

331.19

• 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°	-251.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-552.99	kJ/mol	Joback Calculated Property
ΔfusH°	40.73	kJ/mol	Joback Calculated Property
ΔvapH°	79.70	kJ/mol	Joback Calculated Property
log10WS	-4.80		Crippen Calculated Property
logPoct/wat	4.188		Crippen Calculated Property
McVol	233.510	ml/mol	McGowan Calculated Property
Pc	1920.30	kPa	Joback Calculated Property
Inp	[2281.00; 2281.00]
Inp	2281.00		NIST
Inp	2281.00		NIST
Tboil	810.72	K	Joback Calculated Property
Tc	1031.17	K	Joback Calculated Property
Tfus	495.39	K	Joback Calculated Property
Vc	0.894	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[616.80; 675.75]	J/mol×K	[810.72; 1031.17]
Cp,gas	616.80	J/mol×K	810.72	Joback Calculated Property
Cp,gas	628.88	J/mol×K	847.46	Joback Calculated Property
Cp,gas	640.03	J/mol×K	884.20	Joback Calculated Property
Cp,gas	650.27	J/mol×K	920.94	Joback Calculated Property
Cp,gas	659.61	J/mol×K	957.68	Joback Calculated Property
Cp,gas	668.10	J/mol×K	994.43	Joback Calculated Property
Cp,gas	675.75	J/mol×K	1031.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl 3,5-dichlorophenyl ester.

Sources

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

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