Chemical Properties of Fumaric acid, isohexyl 4-phenoxybenzyl ester

InChI

InChI=1S/C23H26O5/c1-18(2)7-6-16-26-22(24)14-15-23(25)27-17-19-10-12-21(13-11-19)28-20-8-4-3-5-9-20/h3-5,8-15,18H,6-7,16-17H2,1-2H3/b15-14+

InChI Key

GNFCZMQYLXYVTP-CCEZHUSRSA-N

Formula

C23H26O5

SMILES

CC(C)CCCOC(=O)C=CC(=O)OCc1ccc(Oc2ccccc2)cc1

Molecular Weight¹

382.45

• 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).
• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.62	kJ/mol	Joback Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-6.04		Relay (1.0) Calculated Property
logPoct/wat	5.058		Crippen Calculated Property
McVol	303.860	ml/mol	McGowan Calculated Property
Inp	[2867.00; 2867.00]
Inp	2867.00		NIST
Inp	2867.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[945.36; 1005.45]	J/mol×K	[926.76; 1150.68]
Cp,gas	945.36	J/mol×K	926.76	Joback Calculated Property
Cp,gas	958.88	J/mol×K	964.08	Joback Calculated Property
Cp,gas	970.93	J/mol×K	1001.40	Joback Calculated Property
Cp,gas	981.56	J/mol×K	1038.72	Joback Calculated Property
Cp,gas	990.82	J/mol×K	1076.04	Joback Calculated Property
Cp,gas	998.77	J/mol×K	1113.36	Joback Calculated Property
Cp,gas	1005.45	J/mol×K	1150.68	Joback Calculated Property
η	[0.0000165; 0.0003755]	Pa×s	[501.14; 926.76]
η	0.0003755	Pa×s	501.14	Joback Calculated Property
η	0.0001616	Pa×s	572.08	Joback Calculated Property
η	0.0000838	Pa×s	643.01	Joback Calculated Property
η	0.0000495	Pa×s	713.95	Joback Calculated Property
η	0.0000321	Pa×s	784.89	Joback Calculated Property
η	0.0000224	Pa×s	855.82	Joback Calculated Property
η	0.0000165	Pa×s	926.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, isohexyl 4-phenoxybenzyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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