Chemical Properties of 2-Propanol, 2-phenyl, butanoate

InChI

InChI=1S/C13H18O2/c1-4-8-12(14)15-13(2,3)11-9-6-5-7-10-11/h5-7,9-10H,4,8H2,1-3H3

InChI Key

PWJXAFDOZHNEHT-UHFFFAOYSA-N

Formula

C13H18O2

SMILES

CCCC(=O)OC(C)(C)c1ccccc1

Molecular Weight¹

206.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[238.88; 581.06]	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			-4.18980e+01
Coefficient B			1.23096e+00
Coefficient C			-7.91800e-04
Coefficient D			1.83800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.88	J/mol×K	273.00	Calculated Property
Cp,gas	302.63	J/mol×K	353.78	Calculated Property
Cp,gas	358.58	J/mol×K	434.56	Calculated Property
Cp,gas	407.33	J/mol×K	515.33	Calculated Property
Cp,gas	449.46	J/mol×K	596.11	Calculated Property
Cp,gas	485.54	J/mol×K	676.89	Calculated Property
Cp,gas	516.16	J/mol×K	757.67	Calculated Property
Cp,gas	541.90	J/mol×K	838.44	Calculated Property
Cp,gas	563.34	J/mol×K	919.22	Calculated Property
Cp,gas	581.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039473; 0.0001639]	Pa×s	[307.44; 553.89]	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			-1.26847e+01
Coefficient B			2.19820e+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.			307.44
Temperature range, max.			553.89
η	0.0039473	Pa×s	307.44	Calculated Property
η	0.0021996	Pa×s	334.82	Calculated Property
η	0.0013390	Pa×s	362.21	Calculated Property
η	0.0008740	Pa×s	389.59	Calculated Property
η	0.0006034	Pa×s	416.97	Calculated Property
η	0.0004360	Pa×s	444.36	Calculated Property
η	0.0003272	Pa×s	471.74	Calculated Property
η	0.0002534	Pa×s	499.12	Calculated Property
η	0.0002015	Pa×s	526.51	Calculated Property
η	0.0001639	Pa×s	553.89	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 2-phenyl, butanoate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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