Chemical Properties of Fumaric acid, 2-phenethyl 2-ethylhexyl ester

InChI

InChI=1S/C20H28O4/c1-3-5-9-17(4-2)16-24-20(22)13-12-19(21)23-15-14-18-10-7-6-8-11-18/h6-8,10-13,17H,3-5,9,14-16H2,1-2H3/b13-12-

InChI Key

DDSRMVJVDCAOEG-OUKQBFOZSA-N

Formula

C20H28O4

SMILES

CCCCC(CC)COC(=O)/C=C/C(=O)OCCc1ccccc1

Molecular Weight¹

332.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	47.01	kJ/mol	Joback Calculated Property
ΔvapH°	109.96	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.72		Relay (1.0) Calculated Property
logPoct/wat	4.088		Crippen Calculated Property
McVol	279.480	ml/mol	McGowan Calculated Property
Pc	1334.91	kPa	Joback Calculated Property
Inp	[2401.00; 2401.00]
Inp	2401.00		NIST
Inp	2401.00		NIST
Tboil	647.33	K	Relay (1.0) Calculated Property
Tfus	263.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[839.86; 920.22]	J/mol×K	[804.04; 1004.62]
Cp,gas	839.86	J/mol×K	804.04	Joback Calculated Property
Cp,gas	856.07	J/mol×K	837.47	Joback Calculated Property
Cp,gas	871.09	J/mol×K	870.90	Joback Calculated Property
Cp,gas	884.98	J/mol×K	904.33	Joback Calculated Property
Cp,gas	897.77	J/mol×K	937.76	Joback Calculated Property
Cp,gas	909.50	J/mol×K	971.19	Joback Calculated Property
Cp,gas	920.22	J/mol×K	1004.62	Joback Calculated Property
η	[0.0000337; 0.0013379]	Pa×s	[406.16; 804.04]
η	0.0013379	Pa×s	406.16	Joback Calculated Property
η	0.0004711	Pa×s	472.47	Joback Calculated Property
η	0.0002145	Pa×s	538.79	Joback Calculated Property
η	0.0001160	Pa×s	605.10	Joback Calculated Property
η	0.0000709	Pa×s	671.41	Joback Calculated Property
η	0.0000473	Pa×s	737.73	Joback Calculated Property
η	0.0000337	Pa×s	804.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-phenethyl 2-ethylhexyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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