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

InChI

InChI=1S/C15H20O2/c1-3-7-11(2)17-15(16)14-10-13(14)12-8-5-4-6-9-12/h4-6,8-9,11,13-14H,3,7,10H2,1-2H3

InChI Key

OMSLENHFZKYCNX-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

CCCC(C)OC(=O)C1CC1c1ccccc1

Molecular Weight¹

232.32

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.70	kJ/mol	Joback Calculated Property
logPoct/wat	3.522		Crippen Calculated Property
McVol	195.030	ml/mol	McGowan Calculated Property
Inp	[1718.00; 1718.00]
Inp	1718.00		NIST
Inp	1718.00		NIST
Tboil	543.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[261.28; 669.71]	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			-6.52280e+01
Coefficient B			1.42544e+00
Coefficient C			-8.96800e-04
Coefficient D			2.06300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.28	J/mol×K	273.00	Calculated Property
Cp,gas	335.95	J/mol×K	353.78	Calculated Property
Cp,gas	401.78	J/mol×K	434.56	Calculated Property
Cp,gas	459.42	J/mol×K	515.33	Calculated Property
Cp,gas	509.52	J/mol×K	596.11	Calculated Property
Cp,gas	552.72	J/mol×K	676.89	Calculated Property
Cp,gas	589.69	J/mol×K	757.67	Calculated Property
Cp,gas	621.08	J/mol×K	838.44	Calculated Property
Cp,gas	647.54	J/mol×K	919.22	Calculated Property
Cp,gas	669.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027130; 0.0003892]	Pa×s	[326.26; 588.94]	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			-1.02629e+01
Coefficient B			1.42027e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			326.26
Temperature range, max.			588.94
η	0.0027130	Pa×s	326.26	Calculated Property
η	0.0018976	Pa×s	355.45	Calculated Property
η	0.0014013	Pa×s	384.63	Calculated Property
η	0.0010800	Pa×s	413.82	Calculated Property
η	0.0008614	Pa×s	443.01	Calculated Property
η	0.0007066	Pa×s	472.19	Calculated Property
η	0.0005931	Pa×s	501.38	Calculated Property
η	0.0005075	Pa×s	530.57	Calculated Property
η	0.0004414	Pa×s	559.75	Calculated Property
η	0.0003892	Pa×s	588.94	Calculated Property

Similar Compounds

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