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

InChI

InChI=1S/C11H15Cl3O4/c1-8(2)5-6-17-9(15)3-4-10(16)18-7-11(12,13)14/h5H,3-4,6-7H2,1-2H3

InChI Key

QQCFQPGWUQZUAG-UHFFFAOYSA-N

Formula

C11H15Cl3O4

SMILES

CC(C)=CCOC(=O)CCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

317.59

• 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	0.6199		Relay (1.0) Calculated Property
ΔfG°	-387.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-840.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.89	kJ/mol	Joback Calculated Property
ΔvapH°	80.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-4.27		Relay (1.0) Calculated Property
logPoct/wat	3.189		Crippen Calculated Property
McVol	213.150	ml/mol	McGowan Calculated Property
Pc	2034.55	kPa	Joback Calculated Property
Inp	[1861.00; 1861.00]
Inp	1861.00		NIST
Inp	1861.00		NIST
Tboil	570.75	K	Relay (1.0) Calculated Property
Tc	756.08	K	Relay (1.0) Calculated Property
Tfus	332.52	K	Relay (1.0) Calculated Property
Vc	0.757	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.75; 582.37]	J/mol×K	[716.76; 925.75]
Cp,gas	524.75	J/mol×K	716.76	Joback Calculated Property
Cp,gas	536.16	J/mol×K	751.59	Joback Calculated Property
Cp,gas	546.81	J/mol×K	786.42	Joback Calculated Property
Cp,gas	556.72	J/mol×K	821.26	Joback Calculated Property
Cp,gas	565.92	J/mol×K	856.09	Joback Calculated Property
Cp,gas	574.46	J/mol×K	890.92	Joback Calculated Property
Cp,gas	582.37	J/mol×K	925.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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