Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, oct-3-en-2-yl ester

InChI

InChI=1S/C18H24O2/c1-3-4-5-7-10-14(2)20-18(19)17-13-16(17)15-11-8-6-9-12-15/h6-12,14,16-17H,3-5,13H2,1-2H3/b10-7+

InChI Key

YMMIEKBQBRAIEL-JXMROGBWSA-N

Formula

C18H24O2

SMILES

CCCCC=CC(C)OC(=O)C1CC1c1ccccc1

Molecular Weight¹

272.38

• 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°	36.67	kJ/mol	Joback Calculated Property
logPoct/wat	4.468		Crippen Calculated Property
McVol	233.000	ml/mol	McGowan Calculated Property
Inp	[2032.00; 2032.00]
Inp	2032.00		NIST
Inp	2032.00		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	[310.92; 793.90]	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			-8.21370e+01
Coefficient B			1.73044e+00
Coefficient C			-1.14380e-03
Coefficient D			2.89400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.92	J/mol×K	273.00	Calculated Property
Cp,gas	399.71	J/mol×K	353.78	Calculated Property
Cp,gas	477.59	J/mol×K	434.56	Calculated Property
Cp,gas	545.47	J/mol×K	515.33	Calculated Property
Cp,gas	604.25	J/mol×K	596.11	Calculated Property
Cp,gas	654.87	J/mol×K	676.89	Calculated Property
Cp,gas	698.22	J/mol×K	757.67	Calculated Property
Cp,gas	735.24	J/mol×K	838.44	Calculated Property
Cp,gas	766.83	J/mol×K	919.22	Calculated Property
Cp,gas	793.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023412; 0.0002864]	Pa×s	[354.99; 638.75]	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			-1.07868e+01
Coefficient B			1.67899e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			354.99
Temperature range, max.			638.75
η	0.0023412	Pa×s	354.99	Calculated Property
η	0.0015918	Pa×s	386.52	Calculated Property
η	0.0011471	Pa×s	418.05	Calculated Property
η	0.0008655	Pa×s	449.58	Calculated Property
η	0.0006776	Pa×s	481.11	Calculated Property
η	0.0005467	Pa×s	512.63	Calculated Property
η	0.0004522	Pa×s	544.16	Calculated Property
η	0.0003819	Pa×s	575.69	Calculated Property
η	0.0003282	Pa×s	607.22	Calculated Property
η	0.0002864	Pa×s	638.75	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, oct-3-en-2-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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