Chemical Properties of Fumaric acid, 2-isopropylphenyl naphth-2-ylmethyl ester

InChI

InChI=1S/C24H22O4/c1-17(2)21-9-5-6-10-22(21)28-24(26)14-13-23(25)27-16-18-11-12-19-7-3-4-8-20(19)15-18/h3-15,17H,16H2,1-2H3/b14-13-

InChI Key

UDGUBLBQFRVFND-BUHFOSPRSA-N

Formula

C24H22O4

SMILES

CC(C)c1ccccc1OC(=O)/C=C/C(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

374.44

• 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).
• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.49	kJ/mol	Joback Calculated Property
log10WS	-6.38		Relay (1.0) Calculated Property
logPoct/wat	5.168		Crippen Calculated Property
McVol	292.620	ml/mol	McGowan Calculated Property
Inp	[3042.00; 3042.00]
Inp	3042.00		NIST
Inp	3042.00		NIST
Tfus	388.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[904.34; 968.71]	J/mol×K	[987.12; 1230.90]
Cp,gas	904.34	J/mol×K	987.12	Joback Calculated Property
Cp,gas	917.37	J/mol×K	1027.75	Joback Calculated Property
Cp,gas	929.33	J/mol×K	1068.38	Joback Calculated Property
Cp,gas	940.34	J/mol×K	1109.01	Joback Calculated Property
Cp,gas	950.49	J/mol×K	1149.64	Joback Calculated Property
Cp,gas	959.92	J/mol×K	1190.27	Joback Calculated Property
Cp,gas	968.71	J/mol×K	1230.90	Joback Calculated Property
η	[0.0000545; 0.0004001]	Pa×s	[595.06; 987.12]
η	0.0004001	Pa×s	595.06	Joback Calculated Property
η	0.0002435	Pa×s	660.40	Joback Calculated Property
η	0.0001620	Pa×s	725.75	Joback Calculated Property
η	0.0001153	Pa×s	791.09	Joback Calculated Property
η	0.0000864	Pa×s	856.43	Joback Calculated Property
η	0.0000675	Pa×s	921.78	Joback Calculated Property
η	0.0000545	Pa×s	987.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-isopropylphenyl naphth-2-ylmethyl 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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