Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, undec-2-en-1-yl ester

InChI

InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-13-16-23-21(22)20-17-19(20)18-14-11-10-12-15-18/h9-15,19-20H,2-8,16-17H2,1H3/b13-9-

InChI Key

QPHMNANXWRMBPH-UKTHLTGXSA-N

Formula

C21H30O2

SMILES

CCCCCCCC/C=C/COC(=O)C1CC1c1ccccc1

Molecular Weight¹

314.47

• 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°	47.96	kJ/mol	Joback Calculated Property
logPoct/wat	5.640		Crippen Calculated Property
McVol	275.270	ml/mol	McGowan Calculated Property
Inp	[2456.00; 2456.00]
Inp	2456.00		NIST
Inp	2456.00		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	[374.87; 948.14]	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			-8.31820e+01
Coefficient B			2.00952e+00
Coefficient C			-1.30380e-03
Coefficient D			3.25600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.87	J/mol×K	273.00	Calculated Property
Cp,gas	478.98	J/mol×K	353.78	Calculated Property
Cp,gas	570.58	J/mol×K	434.56	Calculated Property
Cp,gas	650.70	J/mol×K	515.33	Calculated Property
Cp,gas	720.38	J/mol×K	596.11	Calculated Property
Cp,gas	780.65	J/mol×K	676.89	Calculated Property
Cp,gas	832.52	J/mol×K	757.67	Calculated Property
Cp,gas	877.05	J/mol×K	838.44	Calculated Property
Cp,gas	915.24	J/mol×K	919.22	Calculated Property
Cp,gas	948.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017603; 0.0002536]	Pa×s	[403.80; 680.58]	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			-1.11061e+01
Coefficient B			1.92365e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			403.80
Temperature range, max.			680.58
η	0.0017603	Pa×s	403.80	Calculated Property
η	0.0012565	Pa×s	434.55	Calculated Property
η	0.0009378	Pa×s	465.31	Calculated Property
η	0.0007258	Pa×s	496.06	Calculated Property
η	0.0005788	Pa×s	526.81	Calculated Property
η	0.0004732	Pa×s	557.57	Calculated Property
η	0.0003951	Pa×s	588.32	Calculated Property
η	0.0003359	Pa×s	619.08	Calculated Property
η	0.0002899	Pa×s	649.83	Calculated Property
η	0.0002536	Pa×s	680.58	Calculated Property

Similar Compounds

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

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