Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, isobutyl ester

InChI

InChI=1S/C14H18O2/c1-10(2)9-16-14(15)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3

InChI Key

DRBACORAXKIPLB-UHFFFAOYSA-N

Formula

C14H18O2

SMILES

CC(C)COC(=O)C1CC1c1ccccc1

Molecular Weight¹

218.30

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	26.11	kJ/mol	Joback Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	2.989		Crippen Calculated Property
McVol	180.940	ml/mol	McGowan Calculated Property
Inp	[1667.00; 1667.00]
Inp	1667.00		NIST
Inp	1667.00		NIST
Tboil	545.25	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 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	[240.06; 618.12]	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			-6.43190e+01
Coefficient B			1.33044e+00
Coefficient C			-8.42400e-04
Coefficient D			1.94400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.06	J/mol×K	273.00	Calculated Property
Cp,gas	309.54	J/mol×K	353.78	Calculated Property
Cp,gas	370.71	J/mol×K	434.56	Calculated Property
Cp,gas	424.19	J/mol×K	515.33	Calculated Property
Cp,gas	470.60	J/mol×K	596.11	Calculated Property
Cp,gas	510.56	J/mol×K	676.89	Calculated Property
Cp,gas	544.68	J/mol×K	757.67	Calculated Property
Cp,gas	573.57	J/mol×K	838.44	Calculated Property
Cp,gas	597.84	J/mol×K	919.22	Calculated Property
Cp,gas	618.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026956; 0.0004010]	Pa×s	[314.99; 575.43]	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			-1.01261e+01
Coefficient B			1.32611e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			314.99
Temperature range, max.			575.43
η	0.0026956	Pa×s	314.99	Calculated Property
η	0.0018915	Pa×s	343.93	Calculated Property
η	0.0014023	Pa×s	372.87	Calculated Property
η	0.0010855	Pa×s	401.80	Calculated Property
η	0.0008696	Pa×s	430.74	Calculated Property
η	0.0007164	Pa×s	459.68	Calculated Property
η	0.0006039	Pa×s	488.62	Calculated Property
η	0.0005189	Pa×s	517.56	Calculated Property
η	0.0004530	Pa×s	546.49	Calculated Property
η	0.0004010	Pa×s	575.43	Calculated Property

Similar Compounds

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