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

InChI

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

InChI Key

ZUODJYREEXRIQB-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

CC(C)C(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°	25.18	kJ/mol	Joback Calculated Property
logPoct/wat	3.378		Crippen Calculated Property
McVol	195.030	ml/mol	McGowan Calculated Property
Inp	[1709.00; 1709.00]
Inp	1709.00		NIST
Inp	1709.00		NIST
Tboil	545.05	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	[260.96; 670.25]	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			-6.69100e+01
Coefficient B			1.43136e+00
Coefficient C			-9.00000e-04
Coefficient D			2.05800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.96	J/mol×K	273.00	Calculated Property
Cp,gas	335.94	J/mol×K	353.78	Calculated Property
Cp,gas	402.03	J/mol×K	434.56	Calculated Property
Cp,gas	459.87	J/mol×K	515.33	Calculated Property
Cp,gas	510.12	J/mol×K	596.11	Calculated Property
Cp,gas	553.43	J/mol×K	676.89	Calculated Property
Cp,gas	590.44	J/mol×K	757.67	Calculated Property
Cp,gas	621.82	J/mol×K	838.44	Calculated Property
Cp,gas	648.20	J/mol×K	919.22	Calculated Property
Cp,gas	670.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033047; 0.0003590]	Pa×s	[311.26; 591.60]	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			-1.03969e+01
Coefficient B			1.45809e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			311.26
Temperature range, max.			591.60
η	0.0033047	Pa×s	311.26	Calculated Property
η	0.0021581	Pa×s	342.41	Calculated Property
η	0.0015131	Pa×s	373.56	Calculated Property
η	0.0011204	Pa×s	404.71	Calculated Property
η	0.0008661	Pa×s	435.86	Calculated Property
η	0.0006929	Pa×s	467.00	Calculated Property
η	0.0005700	Pa×s	498.15	Calculated Property
η	0.0004798	Pa×s	529.30	Calculated Property
η	0.0004117	Pa×s	560.45	Calculated Property
η	0.0003590	Pa×s	591.60	Calculated Property

Similar Compounds

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