Chemical Properties of Fumaric acid, 2-isopropylphenyl dodec-2-en-1-yl ester

InChI

InChI=1S/C25H36O4/c1-4-5-6-7-8-9-10-11-12-15-20-28-24(26)18-19-25(27)29-23-17-14-13-16-22(23)21(2)3/h12-19,21H,4-11,20H2,1-3H3/b15-12+,19-18+

InChI Key

BVUIZCVUPIUNBZ-AHSPQICUSA-N

Formula

C25H36O4

SMILES

CCCCCCCCCC=CCOC(=O)C=CC(=O)Oc1ccccc1C(C)C

Molecular Weight¹

400.55

• 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°	56.61	kJ/mol	Joback Calculated Property
log10WS	-6.99		Relay (1.0) Calculated Property
logPoct/wat	6.512		Crippen Calculated Property
McVol	345.630	ml/mol	McGowan Calculated Property
Inp	[2851.00; 2851.00]
Inp	2851.00		NIST
Inp	2851.00		NIST
Tfus	301.12	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	[1125.25; 1208.50]	J/mol×K	[963.52; 1181.02]
Cp,gas	1125.25	J/mol×K	963.52	Joback Calculated Property
Cp,gas	1141.85	J/mol×K	999.77	Joback Calculated Property
Cp,gas	1157.26	J/mol×K	1036.02	Joback Calculated Property
Cp,gas	1171.56	J/mol×K	1072.27	Joback Calculated Property
Cp,gas	1184.82	J/mol×K	1108.52	Joback Calculated Property
Cp,gas	1197.10	J/mol×K	1144.77	Joback Calculated Property
Cp,gas	1208.50	J/mol×K	1181.02	Joback Calculated Property
η	[0.0000186; 0.0003274]	Pa×s	[529.61; 963.52]
η	0.0003274	Pa×s	529.61	Joback Calculated Property
η	0.0001523	Pa×s	601.93	Joback Calculated Property
η	0.0000835	Pa×s	674.25	Joback Calculated Property
η	0.0000514	Pa×s	746.56	Joback Calculated Property
η	0.0000345	Pa×s	818.88	Joback Calculated Property
η	0.0000247	Pa×s	891.20	Joback Calculated Property
η	0.0000186	Pa×s	963.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-isopropylphenyl dodec-2-en-1-yl 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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