Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 3-methylbut-3-en-1-yl ester

InChI

InChI=1S/C15H15Cl3O4/c1-9(2)5-6-21-13(19)3-4-14(20)22-15-11(17)7-10(16)8-12(15)18/h7-8H,1,3-6H2,2H3

InChI Key

WHCXJAWHCLQHMC-UHFFFAOYSA-N

Formula

C15H15Cl3O4

SMILES

C=C(C)CCOC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

365.64

• 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°	-265.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-571.99	kJ/mol	Joback Calculated Property
ΔfusH°	43.05	kJ/mol	Joback Calculated Property
ΔvapH°	84.12	kJ/mol	Joback Calculated Property
log10WS	-5.49		Crippen Calculated Property
logPoct/wat	4.842		Crippen Calculated Property
McVol	245.750	ml/mol	McGowan Calculated Property
Pc	1820.06	kPa	Joback Calculated Property
Inp	[2372.00; 2372.00]
Inp	2372.00		NIST
Inp	2372.00		NIST
Tboil	845.65	K	Joback Calculated Property
Tc	1066.73	K	Joback Calculated Property
Tfus	541.15	K	Joback Calculated Property
Vc	0.945	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[637.43; 688.50]	J/mol×K	[845.65; 1066.73]
Cp,gas	637.43	J/mol×K	845.65	Joback Calculated Property
Cp,gas	648.29	J/mol×K	882.50	Joback Calculated Property
Cp,gas	658.21	J/mol×K	919.34	Joback Calculated Property
Cp,gas	667.17	J/mol×K	956.19	Joback Calculated Property
Cp,gas	675.20	J/mol×K	993.04	Joback Calculated Property
Cp,gas	682.31	J/mol×K	1029.88	Joback Calculated Property
Cp,gas	688.50	J/mol×K	1066.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 3-methylbut-3-en-1-yl ester.

Sources

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

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