Chemical Properties of 2-n-Propylphenol, isoBOC

InChI

InChI=1S/C14H20O3/c1-4-7-12-8-5-6-9-13(12)17-14(15)16-10-11(2)3/h5-6,8-9,11H,4,7,10H2,1-3H3

InChI Key

ODHWFJGBUOCREP-UHFFFAOYSA-N

Formula

C14H20O3

SMILES

CCCc1ccccc1OC(=O)OCC(C)C

Molecular Weight¹

236.31

• 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°	27.70	kJ/mol	Joback Calculated Property
log10WS	-4.33		Relay (1.0) Calculated Property
logPoct/wat	3.811		Crippen Calculated Property
McVol	197.670	ml/mol	McGowan Calculated Property
Inp	[1591.00; 1591.00]
Inp	1591.00		NIST
Inp	1591.00		NIST
Tboil	555.20	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	[279.20; 647.18]	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			1.97830e+01
Coefficient B			1.08336e+00
Coefficient C			-4.99560e-04
Coefficient D			4.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	279.20	J/mol×K	273.00	Calculated Property
Cp,gas	342.46	J/mol×K	353.78	Calculated Property
Cp,gas	399.80	J/mol×K	434.56	Calculated Property
Cp,gas	451.37	J/mol×K	515.33	Calculated Property
Cp,gas	497.30	J/mol×K	596.11	Calculated Property
Cp,gas	537.73	J/mol×K	676.89	Calculated Property
Cp,gas	572.80	J/mol×K	757.67	Calculated Property
Cp,gas	602.63	J/mol×K	838.44	Calculated Property
Cp,gas	627.38	J/mol×K	919.22	Calculated Property
Cp,gas	647.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020079; 0.0001320]	Pa×s	[336.04; 582.81]	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			-1.26399e+01
Coefficient B			2.16047e+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.			336.04
Temperature range, max.			582.81
η	0.0020079	Pa×s	336.04	Calculated Property
η	0.0012363	Pa×s	363.46	Calculated Property
η	0.0008148	Pa×s	390.88	Calculated Property
η	0.0005671	Pa×s	418.30	Calculated Property
η	0.0004128	Pa×s	445.71	Calculated Property
η	0.0003117	Pa×s	473.13	Calculated Property
η	0.0002427	Pa×s	500.55	Calculated Property
η	0.0001940	Pa×s	527.97	Calculated Property
η	0.0001585	Pa×s	555.39	Calculated Property
η	0.0001320	Pa×s	582.81	Calculated Property

Similar Compounds

Find more compounds similar to 2-n-Propylphenol, isoBOC.

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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