Chemical Properties of Fumaric acid, 1-phenylprop-1-yl 3-chlorophenyl ester

InChI

InChI=1S/C19H17ClO4/c1-2-17(14-7-4-3-5-8-14)24-19(22)12-11-18(21)23-16-10-6-9-15(20)13-16/h3-13,17H,2H2,1H3/b12-11+

InChI Key

OZKKFONCAKORGU-VAWYXSNFSA-N

Formula

C19H17ClO4

SMILES

CCC(OC(=O)C=CC(=O)Oc1cccc(Cl)c1)c1ccccc1

Molecular Weight¹

344.79

• 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	0.7581		Relay (1.0) Calculated Property
ΔfG°	-77.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-530.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.11	kJ/mol	Joback Calculated Property
ΔvapH°	107.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-5.42		Relay (1.0) Calculated Property
logPoct/wat	4.496		Crippen Calculated Property
McVol	253.870	ml/mol	McGowan Calculated Property
Pc	1923.67	kPa	Joback Calculated Property
Inp	[2525.00; 2525.00]
Inp	2525.00		NIST
Inp	2525.00		NIST
Tboil	644.23	K	Relay (1.0) Calculated Property
Tc	908.18	K	Relay (1.0) Calculated Property
Tfus	343.40	K	Relay (1.0) Calculated Property
Vc	0.878	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[720.33; 778.06]	J/mol×K	[886.19; 1124.98]
Cp,gas	720.33	J/mol×K	886.19	Joback Calculated Property
Cp,gas	732.77	J/mol×K	925.99	Joback Calculated Property
Cp,gas	744.00	J/mol×K	965.79	Joback Calculated Property
Cp,gas	754.08	J/mol×K	1005.59	Joback Calculated Property
Cp,gas	763.07	J/mol×K	1045.39	Joback Calculated Property
Cp,gas	771.04	J/mol×K	1085.18	Joback Calculated Property
Cp,gas	778.06	J/mol×K	1124.98	Joback Calculated Property
η	[0.0000447; 0.0004810]	Pa×s	[523.41; 886.19]
η	0.0004810	Pa×s	523.41	Joback Calculated Property
η	0.0002637	Pa×s	583.87	Joback Calculated Property
η	0.0001619	Pa×s	644.34	Joback Calculated Property
η	0.0001080	Pa×s	704.80	Joback Calculated Property
η	0.0000769	Pa×s	765.26	Joback Calculated Property
η	0.0000575	Pa×s	825.73	Joback Calculated Property
η	0.0000447	Pa×s	886.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl 3-chlorophenyl ester.

Sources

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

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