Chemical Properties of Fumaric acid, ethyl pentachlorophenyl ester

InChI

InChI=1S/C12H7Cl5O4/c1-2-20-5(18)3-4-6(19)21-12-10(16)8(14)7(13)9(15)11(12)17/h3-4H,2H2,1H3/b4-3+

InChI Key

MSJGEMUIWSXWBP-ONEGZZNKSA-N

Formula

C12H7Cl5O4

SMILES

CCOC(=O)C=CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

392.45

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.7932		Relay (1.0) Calculated Property
ΔfH°gas	-650.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.86	kJ/mol	Joback Calculated Property
ΔvapH°	104.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-6.94		Relay (1.0) Calculated Property
logPoct/wat	4.978		Crippen Calculated Property
McVol	227.960	ml/mol	McGowan Calculated Property
Pc	1998.33	kPa	Joback Calculated Property
Inp	[2474.00; 2474.00]
Inp	2474.00		NIST
Inp	2474.00		NIST
Tboil	622.76	K	Relay (1.0) Calculated Property
Tc	897.50	K	Relay (1.0) Calculated Property
Tfus	401.91	K	Relay (1.0) Calculated Property
Vc	0.805	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[506.79; 537.17]	J/mol×K	[833.49; 1067.20]
Cp,gas	506.79	J/mol×K	833.49	Joback Calculated Property
Cp,gas	514.07	J/mol×K	872.44	Joback Calculated Property
Cp,gas	520.45	J/mol×K	911.39	Joback Calculated Property
Cp,gas	525.95	J/mol×K	950.34	Joback Calculated Property
Cp,gas	530.57	J/mol×K	989.29	Joback Calculated Property
Cp,gas	534.30	J/mol×K	1028.24	Joback Calculated Property
Cp,gas	537.17	J/mol×K	1067.20	Joback Calculated Property
η	[0.0000573; 0.0003519]	Pa×s	[543.20; 833.49]
η	0.0003519	Pa×s	543.20	Joback Calculated Property
η	0.0002298	Pa×s	591.58	Joback Calculated Property
η	0.0001601	Pa×s	639.96	Joback Calculated Property
η	0.0001173	Pa×s	688.35	Joback Calculated Property
η	0.0000896	Pa×s	736.73	Joback Calculated Property
η	0.0000707	Pa×s	785.11	Joback Calculated Property
η	0.0000573	Pa×s	833.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, ethyl pentachlorophenyl ester.

Sources

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

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