Chemical Properties of Fumaric acid, 2,5-dichlorophenyl 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C15H14Cl2O4/c1-10(2)7-8-20-14(18)5-6-15(19)21-13-9-11(16)3-4-12(13)17/h3-7,9H,8H2,1-2H3/b6-5+

InChI Key

KKMVOORPVGODRV-AATRIKPKSA-N

Formula

C15H14Cl2O4

SMILES

CC(C)=CCOC(=O)C=CC(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

329.18

• 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	0.7202		Relay (... Calculated Property
ΔfG°	-171.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-605.42	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.93	kJ/mol	Joback Calculated Property
ΔvapH°	96.63	kJ/mol	Relay (... Calculated Property
IE	8.79	eV	Relay (... Calculated Property
log10WS	-5.59		Relay (... Calculated Property
logPoct/wat	3.964		Crippen Calculated Property
McVol	229.210	ml/mol	McGowan Calculated Property
Pc	2010.90	kPa	Joback Calculated Property
Inp	[2280.00; 2280.00]
Inp	2280.00		NIST
Inp	2280.00		NIST
Tboil	603.99	K	Relay (... Calculated Property
Tc	836.13	K	Relay (... Calculated Property
Tfus	337.23	K	Relay (... Calculated Property
Vc	0.789	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[590.33; 647.18]	J/mol×K	[814.88; 1042.21]
Cp,gas	590.33	J/mol×K	814.88	Joback Calculated Property
Cp,gas	601.88	J/mol×K	852.77	Joback Calculated Property
Cp,gas	612.54	J/mol×K	890.66	Joback Calculated Property
Cp,gas	622.36	J/mol×K	928.55	Joback Calculated Property
Cp,gas	631.38	J/mol×K	966.44	Joback Calculated Property
Cp,gas	639.64	J/mol×K	1004.32	Joback Calculated Property
Cp,gas	647.18	J/mol×K	1042.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,5-dichlorophenyl 3-methylbut-2-en-1-yl ester.

Sources

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

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