Chemical Properties of Fumaric acid, isobutyl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C14H13Cl3O4/c1-8(2)7-20-12(18)3-4-13(19)21-11-6-9(15)5-10(16)14(11)17/h3-6,8H,7H2,1-2H3/b4-3+

InChI Key

LEPGKNXBRAIHJE-ONEGZZNKSA-N

Formula

C14H13Cl3O4

SMILES

CC(C)COC(=O)C=CC(=O)Oc1cc(Cl)cc(Cl)c1Cl

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	0.7773		Relay (... Calculated Property
ΔfG°	-275.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-696.03	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.73	kJ/mol	Joback Calculated Property
ΔvapH°	94.18	kJ/mol	Relay (... Calculated Property
IE	9.23	eV	Relay (... Calculated Property
log10WS	-5.94		Relay (... Calculated Property
logPoct/wat	4.308		Crippen Calculated Property
McVol	231.660	ml/mol	McGowan Calculated Property
Pc	2001.91	kPa	Joback Calculated Property
Inp	[2268.00; 2268.00]
Inp	2268.00		NIST
Inp	2268.00		NIST
Tboil	607.29	K	Relay (... Calculated Property
Tc	846.64	K	Relay (... Calculated Property
Tfus	341.70	K	Relay (... Calculated Property
Vc	0.813	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[583.51; 633.35]	J/mol×K	[829.93; 1057.31]
Cp,gas	583.51	J/mol×K	829.93	Joback Calculated Property
Cp,gas	594.06	J/mol×K	867.83	Joback Calculated Property
Cp,gas	603.69	J/mol×K	905.72	Joback Calculated Property
Cp,gas	612.41	J/mol×K	943.62	Joback Calculated Property
Cp,gas	620.25	J/mol×K	981.52	Joback Calculated Property
Cp,gas	627.23	J/mol×K	1019.41	Joback Calculated Property
Cp,gas	633.35	J/mol×K	1057.31	Joback Calculated Property
η	[0.0000676; 0.0004680]	Pa×s	[525.52; 829.93]
η	0.0004680	Pa×s	525.52	Joback Calculated Property
η	0.0002941	Pa×s	576.25	Joback Calculated Property
η	0.0001993	Pa×s	626.99	Joback Calculated Property
η	0.0001431	Pa×s	677.72	Joback Calculated Property
η	0.0001076	Pa×s	728.46	Joback Calculated Property
η	0.0000840	Pa×s	779.19	Joback Calculated Property
η	0.0000676	Pa×s	829.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, isobutyl 2,3,5-trichlorophenyl ester.

Sources

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

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