Chemical Properties of Fumaric acid, di(2-chloro-5-methylphenyl) ester

InChI

InChI=1S/C18H14Cl2O4/c1-11-3-5-13(19)15(9-11)23-17(21)7-8-18(22)24-16-10-12(2)4-6-14(16)20/h3-10H,1-2H3/b8-7+

InChI Key

IPULWJRXVZFERK-BQYQJAHWSA-N

Formula

C18H14Cl2O4

SMILES

Cc1ccc(Cl)c(OC(=O)C=CC(=O)Oc2cc(C)ccc2Cl)c1

Molecular Weight¹

365.21

• 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	0.8258		Relay (... Calculated Property
ΔfG°	-124.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-549.36	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.07	kJ/mol	Joback Calculated Property
ΔvapH°	111.48	kJ/mol	Relay (... Calculated Property
IE	8.40	eV	Relay (... Calculated Property
log10WS	-6.31		Relay (... Calculated Property
logPoct/wat	4.677		Crippen Calculated Property
McVol	252.020	ml/mol	McGowan Calculated Property
Pc	1933.83	kPa	Joback Calculated Property
Inp	[2752.00; 2752.00]
Inp	2752.00		NIST
Inp	2752.00		NIST
Tboil	636.88	K	Relay (... Calculated Property
Tc	935.92	K	Relay (... Calculated Property
Tfus	398.07	K	Relay (... Calculated Property
Vc	0.892	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[679.20; 725.92]	J/mol×K	[916.12; 1159.25]
Cp,gas	679.20	J/mol×K	916.12	Joback Calculated Property
Cp,gas	689.74	J/mol×K	956.64	Joback Calculated Property
Cp,gas	699.13	J/mol×K	997.16	Joback Calculated Property
Cp,gas	707.41	J/mol×K	1037.68	Joback Calculated Property
Cp,gas	714.61	J/mol×K	1078.21	Joback Calculated Property
Cp,gas	720.77	J/mol×K	1118.73	Joback Calculated Property
Cp,gas	725.92	J/mol×K	1159.25	Joback Calculated Property
η	[0.0000515; 0.0002892]	Pa×s	[594.62; 916.12]
η	0.0002892	Pa×s	594.62	Joback Calculated Property
η	0.0001926	Pa×s	648.20	Joback Calculated Property
η	0.0001365	Pa×s	701.79	Joback Calculated Property
η	0.0001016	Pa×s	755.37	Joback Calculated Property
η	0.0000786	Pa×s	808.95	Joback Calculated Property
η	0.0000628	Pa×s	862.54	Joback Calculated Property
η	0.0000515	Pa×s	916.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, di(2-chloro-5-methylphenyl) ester.

Sources

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

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