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

InChI

InChI=1S/C14H13Cl3O4/c1-2-3-6-20-12(18)4-5-13(19)21-14-10(16)7-9(15)8-11(14)17/h2,7-8H,1,3-6H2

InChI Key

PCOCZTIOEQNABH-UHFFFAOYSA-N

Formula

C14H13Cl3O4

SMILES

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

Molecular Weight¹

351.61

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.7779		Relay (1.0) Calculated Property
ΔfG°	-265.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-654.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.77	kJ/mol	Joback Calculated Property
ΔvapH°	95.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	4.452		Crippen Calculated Property
McVol	231.660	ml/mol	McGowan Calculated Property
Pc	1970.05	kPa	Joback Calculated Property
Inp	[2275.00; 2275.00]
Inp	2275.00		NIST
Inp	2275.00		NIST
Tboil	608.44	K	Relay (1.0) Calculated Property
Tc	850.15	K	Relay (1.0) Calculated Property
Tfus	312.41	K	Relay (1.0) Calculated Property
Vc	0.818	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[583.48; 632.43]	J/mol×K	[822.89; 1043.51]
Cp,gas	583.48	J/mol×K	822.89	Joback Calculated Property
Cp,gas	593.87	J/mol×K	859.66	Joback Calculated Property
Cp,gas	603.36	J/mol×K	896.43	Joback Calculated Property
Cp,gas	611.95	J/mol×K	933.20	Joback Calculated Property
Cp,gas	619.66	J/mol×K	969.97	Joback Calculated Property
Cp,gas	626.48	J/mol×K	1006.74	Joback Calculated Property
Cp,gas	632.43	J/mol×K	1043.51	Joback Calculated Property
η	[0.0000902; 0.0004840]	Pa×s	[543.84; 822.89]
η	0.0004840	Pa×s	543.84	Joback Calculated Property
η	0.0003276	Pa×s	590.35	Joback Calculated Property
η	0.0002348	Pa×s	636.86	Joback Calculated Property
η	0.0001761	Pa×s	683.37	Joback Calculated Property
η	0.0001370	Pa×s	729.87	Joback Calculated Property
η	0.0001098	Pa×s	776.38	Joback Calculated Property
η	0.0000902	Pa×s	822.89	Joback Calculated Property

Similar Compounds

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

Sources

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

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