Chemical Properties of Fumaric acid, 1-phenylprop-1-yl 4-chloro-3-methylphenyl ester

InChI

InChI=1S/C20H19ClO4/c1-3-18(15-7-5-4-6-8-15)25-20(23)12-11-19(22)24-16-9-10-17(21)14(2)13-16/h4-13,18H,3H2,1-2H3/b12-11+

InChI Key

PRTMDHCBQWMJIA-VAWYXSNFSA-N

Formula

C20H19ClO4

SMILES

CCC(OC(=O)C=CC(=O)Oc1ccc(Cl)c(C)c1)c1ccccc1

Molecular Weight¹

358.81

• 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).
• 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
ΔfG°	-78.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-399.41	kJ/mol	Joback Calculated Property
ΔfusH°	41.31	kJ/mol	Joback Calculated Property
ΔvapH°	88.26	kJ/mol	Joback Calculated Property
log10WS	-5.83		Crippen Calculated Property
logPoct/wat	4.805		Crippen Calculated Property
McVol	267.960	ml/mol	McGowan Calculated Property
Pc	1749.21	kPa	Joback Calculated Property
Inp	[2693.00; 2693.00]
Inp	2693.00		NIST
Inp	2693.00		NIST
Tboil	914.05	K	Joback Calculated Property
Tc	1150.88	K	Joback Calculated Property
Tfus	547.20	K	Joback Calculated Property
Vc	1.010	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[775.66; 833.33]	J/mol×K	[914.05; 1150.88]
Cp,gas	775.66	J/mol×K	914.05	Joback Calculated Property
Cp,gas	788.15	J/mol×K	953.52	Joback Calculated Property
Cp,gas	799.41	J/mol×K	992.99	Joback Calculated Property
Cp,gas	809.50	J/mol×K	1032.47	Joback Calculated Property
Cp,gas	818.48	J/mol×K	1071.94	Joback Calculated Property
Cp,gas	826.40	J/mol×K	1111.41	Joback Calculated Property
Cp,gas	833.33	J/mol×K	1150.88	Joback Calculated Property
η	[0.0000396; 0.0003787]	Pa×s	[547.20; 914.05]
η	0.0003787	Pa×s	547.20	Joback Calculated Property
η	0.0002151	Pa×s	608.34	Joback Calculated Property
η	0.0001355	Pa×s	669.48	Joback Calculated Property
η	0.0000922	Pa×s	730.62	Joback Calculated Property
η	0.0000666	Pa×s	791.77	Joback Calculated Property
η	0.0000504	Pa×s	852.91	Joback Calculated Property
η	0.0000396	Pa×s	914.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl 4-chloro-3-methylphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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