Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, tetradec-4-yl ester

InChI

InChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-14-18-21(15-4-2)26-24(25)23-19-22(23)20-16-12-11-13-17-20/h11-13,16-17,21-23H,3-10,14-15,18-19H2,1-2H3

InChI Key

BWUMORXJWYCCON-UHFFFAOYSA-N

Formula

C24H38O2

SMILES

CCCCCCCCCCC(CCC)OC(=O)C1CC1c1ccccc1

Molecular Weight¹

358.56

• 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).
• 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°	52.01	kJ/mol	Joback Calculated Property
logPoct/wat	7.033		Crippen Calculated Property
McVol	321.840	ml/mol	McGowan Calculated Property
Inp	[2582.00; 2582.00]
Inp	2582.00		NIST
Inp	2582.00		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, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[452.20; 1134.03]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.34090e+01
Coefficient B			2.28044e+00
Coefficient C			-1.38640e-03
Coefficient D			3.13400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	452.20	J/mol×K	273.00	Calculated Property
Cp,gas	573.72	J/mol×K	353.78	Calculated Property
Cp,gas	681.48	J/mol×K	434.56	Calculated Property
Cp,gas	776.48	J/mol×K	515.33	Calculated Property
Cp,gas	859.72	J/mol×K	596.11	Calculated Property
Cp,gas	932.17	J/mol×K	676.89	Calculated Property
Cp,gas	994.84	J/mol×K	757.67	Calculated Property
Cp,gas	1048.71	J/mol×K	838.44	Calculated Property
Cp,gas	1094.78	J/mol×K	919.22	Calculated Property
Cp,gas	1134.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018042; 0.0002066]	Pa×s	[427.69; 723.33]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16199e+01
Coefficient B			2.26771e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			427.69
Temperature range, max.			723.33
η	0.0018042	Pa×s	427.69	Calculated Property
η	0.0012360	Pa×s	460.54	Calculated Property
η	0.0008905	Pa×s	493.39	Calculated Property
η	0.0006684	Pa×s	526.24	Calculated Property
η	0.0005189	Pa×s	559.09	Calculated Property
η	0.0004143	Pa×s	591.94	Calculated Property
η	0.0003387	Pa×s	624.79	Calculated Property
η	0.0002826	Pa×s	657.64	Calculated Property
η	0.0002398	Pa×s	690.48	Calculated Property
η	0.0002066	Pa×s	723.33	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, tetradec-4-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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