Chemical Properties of Fumaric acid, 2,4-dichlorophenyl hept-2-yl ester

InChI

InChI=1S/C17H20Cl2O4/c1-3-4-5-6-12(2)22-16(20)9-10-17(21)23-15-8-7-13(18)11-14(15)19/h7-12H,3-6H2,1-2H3/b10-9+

InChI Key

JYGJSCUSGPQLPQ-MDZDMXLPSA-N

Formula

C17H20Cl2O4

SMILES

CCCCCC(C)OC(=O)C=CC(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

359.24

• 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	0.8487		Relay (... Calculated Property
ΔfG°	-228.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-746.49	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.70	kJ/mol	Joback Calculated Property
ΔvapH°	99.59	kJ/mol	Relay (... Calculated Property
IE	8.90	eV	Relay (... Calculated Property
log10WS	-6.02		Relay (... Calculated Property
logPoct/wat	4.967		Crippen Calculated Property
McVol	261.690	ml/mol	McGowan Calculated Property
Pc	1637.78	kPa	Joback Calculated Property
Inp	[2385.00; 2385.00]
Inp	2385.00		NIST
Inp	2385.00		NIST
Tboil	605.17	K	Relay (... Calculated Property
Tc	840.37	K	Relay (... Calculated Property
Tfus	311.96	K	Relay (... Calculated Property
Vc	0.926	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[728.69; 790.29]	J/mol×K	[856.16; 1073.35]
Cp,gas	728.69	J/mol×K	856.16	Joback Calculated Property
Cp,gas	741.40	J/mol×K	892.36	Joback Calculated Property
Cp,gas	753.09	J/mol×K	928.56	Joback Calculated Property
Cp,gas	763.80	J/mol×K	964.76	Joback Calculated Property
Cp,gas	773.55	J/mol×K	1000.95	Joback Calculated Property
Cp,gas	782.37	J/mol×K	1037.15	Joback Calculated Property
Cp,gas	790.29	J/mol×K	1073.35	Joback Calculated Property
η	[0.0000507; 0.0004807]	Pa×s	[516.89; 856.16]
η	0.0004807	Pa×s	516.89	Joback Calculated Property
η	0.0002746	Pa×s	573.43	Joback Calculated Property
η	0.0001735	Pa×s	629.98	Joback Calculated Property
η	0.0001182	Pa×s	686.52	Joback Calculated Property
η	0.0000854	Pa×s	743.07	Joback Calculated Property
η	0.0000646	Pa×s	799.61	Joback Calculated Property
η	0.0000507	Pa×s	856.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl hept-2-yl ester.

Sources

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

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