Chemical Properties of Fumaric acid, 2,4,6-trichlorophenyl 2-methylpent-3-yl ester

InChI

InChI=1S/C16H17Cl3O4/c1-4-13(9(2)3)22-14(20)5-6-15(21)23-16-11(18)7-10(17)8-12(16)19/h5-9,13H,4H2,1-3H3/b6-5+

InChI Key

ULNIYEKYZALERC-AATRIKPKSA-N

Formula

C16H17Cl3O4

SMILES

CCC(OC(=O)C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)C(C)C

Molecular Weight¹

379.66

• 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	0.7942		Relay (... Calculated Property
ΔfG°	-260.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-728.61	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.39	kJ/mol	Joback Calculated Property
ΔvapH°	98.21	kJ/mol	Relay (... Calculated Property
IE	9.04	eV	Relay (... Calculated Property
log10WS	-6.15		Relay (... Calculated Property
logPoct/wat	5.086		Crippen Calculated Property
McVol	259.840	ml/mol	McGowan Calculated Property
Pc	1708.95	kPa	Joback Calculated Property
Inp	[2336.00; 2336.00]
Inp	2336.00		NIST
Inp	2336.00		NIST
Tboil	598.09	K	Relay (... Calculated Property
Tc	852.32	K	Relay (... Calculated Property
Tfus	340.60	K	Relay (... Calculated Property
Vc	0.894	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.82; 746.92]	J/mol×K	[875.25; 1101.08]
Cp,gas	693.82	J/mol×K	875.25	Joback Calculated Property
Cp,gas	705.15	J/mol×K	912.89	Joback Calculated Property
Cp,gas	715.45	J/mol×K	950.53	Joback Calculated Property
Cp,gas	724.76	J/mol×K	988.16	Joback Calculated Property
Cp,gas	733.09	J/mol×K	1025.80	Joback Calculated Property
Cp,gas	740.47	J/mol×K	1063.44	Joback Calculated Property
Cp,gas	746.92	J/mol×K	1101.08	Joback Calculated Property
η	[0.0000467; 0.0004211]	Pa×s	[533.06; 875.25]
η	0.0004211	Pa×s	533.06	Joback Calculated Property
η	0.0002445	Pa×s	590.09	Joback Calculated Property
η	0.0001562	Pa×s	647.12	Joback Calculated Property
η	0.0001073	Pa×s	704.15	Joback Calculated Property
η	0.0000780	Pa×s	761.19	Joback Calculated Property
η	0.0000593	Pa×s	818.22	Joback Calculated Property
η	0.0000467	Pa×s	875.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl 2-methylpent-3-yl ester.

Sources

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

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