Chemical Properties of Fumaric acid, 1-phenylprop-1-yl 2-ethylhexyl ester

InChI

InChI=1S/C21H30O4/c1-4-7-11-17(5-2)16-24-20(22)14-15-21(23)25-19(6-3)18-12-9-8-10-13-18/h8-10,12-15,17,19H,4-7,11,16H2,1-3H3/b15-14+

InChI Key

ZDSUNJXXKIDOOJ-CCEZHUSRSA-N

Formula

C21H30O4

SMILES

CCCCC(CC)COC(=O)C=CC(=O)OC(CC)c1ccccc1

Molecular Weight¹

346.46

• 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	0.8570		Relay (1.0) Calculated Property
ΔfG°	-154.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-775.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.92	kJ/mol	Joback Calculated Property
ΔvapH°	101.37	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-5.50		Relay (1.0) Calculated Property
logPoct/wat	4.997		Crippen Calculated Property
McVol	293.570	ml/mol	McGowan Calculated Property
Pc	1329.07	kPa	Joback Calculated Property
Inp	[2391.00; 2391.00]
Inp	2391.00		NIST
Inp	2391.00		NIST
Tboil	624.21	K	Relay (1.0) Calculated Property
Tc	832.25	K	Relay (1.0) Calculated Property
Tfus	276.03	K	Relay (1.0) Calculated Property
Vc	1.031	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[911.99; 992.62]	J/mol×K	[862.42; 1069.82]
Cp,gas	911.99	J/mol×K	862.42	Joback Calculated Property
Cp,gas	928.20	J/mol×K	896.99	Joback Calculated Property
Cp,gas	943.23	J/mol×K	931.55	Joback Calculated Property
Cp,gas	957.15	J/mol×K	966.12	Joback Calculated Property
Cp,gas	969.99	J/mol×K	1000.69	Joback Calculated Property
Cp,gas	981.80	J/mol×K	1035.25	Joback Calculated Property
Cp,gas	992.62	J/mol×K	1069.82	Joback Calculated Property
η	[0.0000343; 0.0007804]	Pa×s	[462.09; 862.42]
η	0.0007804	Pa×s	462.09	Joback Calculated Property
η	0.0003339	Pa×s	528.81	Joback Calculated Property
η	0.0001728	Pa×s	595.53	Joback Calculated Property
η	0.0001021	Pa×s	662.25	Joback Calculated Property
η	0.0000664	Pa×s	728.98	Joback Calculated Property
η	0.0000465	Pa×s	795.70	Joback Calculated Property
η	0.0000343	Pa×s	862.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl 2-ethylhexyl ester.

Sources

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

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