Chemical Properties of Fumaric acid, 2-methoxyphenyl 2,2-dichloroethyl ester

InChI

InChI=1S/C13H12Cl2O5/c1-18-9-4-2-3-5-10(9)20-13(17)7-6-12(16)19-8-11(14)15/h2-7,11H,8H2,1H3/b7-6+

InChI Key

ZVLDYCTWCDTEIN-VOTSOKGWSA-N

Formula

C13H12Cl2O5

SMILES

COc1ccccc1OC(=O)C=CC(=O)OCC(Cl)Cl

Molecular Weight¹

319.14

• 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	0.7592		Relay (1.0) Calculated Property
ΔfG°	-357.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-741.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.91	kJ/mol	Joback Calculated Property
ΔvapH°	97.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-4.02		Relay (1.0) Calculated Property
logPoct/wat	2.504		Crippen Calculated Property
McVol	211.200	ml/mol	McGowan Calculated Property
Pc	2291.52	kPa	Joback Calculated Property
Inp	[2184.00; 2184.00]
Inp	2184.00		NIST
Inp	2184.00		NIST
Tboil	613.71	K	Relay (1.0) Calculated Property
Tc	840.53	K	Relay (1.0) Calculated Property
Tfus	358.19	K	Relay (1.0) Calculated Property
Vc	0.729	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.02; 589.46]	J/mol×K	[782.08; 1006.01]
Cp,gas	537.02	J/mol×K	782.08	Joback Calculated Property
Cp,gas	548.10	J/mol×K	819.40	Joback Calculated Property
Cp,gas	558.23	J/mol×K	856.72	Joback Calculated Property
Cp,gas	567.42	J/mol×K	894.05	Joback Calculated Property
Cp,gas	575.69	J/mol×K	931.37	Joback Calculated Property
Cp,gas	583.03	J/mol×K	968.69	Joback Calculated Property
Cp,gas	589.46	J/mol×K	1006.01	Joback Calculated Property
η	[0.0000659; 0.0005828]	Pa×s	[481.52; 782.08]
η	0.0005828	Pa×s	481.52	Joback Calculated Property
η	0.0003415	Pa×s	531.61	Joback Calculated Property
η	0.0002194	Pa×s	581.71	Joback Calculated Property
η	0.0001512	Pa×s	631.80	Joback Calculated Property
η	0.0001100	Pa×s	681.89	Joback Calculated Property
η	0.0000836	Pa×s	731.99	Joback Calculated Property
η	0.0000659	Pa×s	782.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-methoxyphenyl 2,2-dichloroethyl ester.

Sources

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

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