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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[515.83; 600.64]	J/mol×K	[631.78; 832.58]
Cp,gas	515.83	J/mol×K	631.78	Joback Calculated Property
Cp,gas	532.24	J/mol×K	665.25	Joback Calculated Property
Cp,gas	547.73	J/mol×K	698.71	Joback Calculated Property
Cp,gas	562.30	J/mol×K	732.18	Joback Calculated Property
Cp,gas	575.97	J/mol×K	765.65	Joback Calculated Property
Cp,gas	588.75	J/mol×K	799.11	Joback Calculated Property
Cp,gas	600.64	J/mol×K	832.58	Joback Calculated Property
η	[0.0000990; 0.0020079]	Pa×s	[336.04; 631.78]
η	0.0020079	Pa×s	336.04	Joback Calculated Property
η	0.0008822	Pa×s	385.33	Joback Calculated Property
η	0.0004671	Pa×s	434.62	Joback Calculated Property
η	0.0002815	Pa×s	483.91	Joback Calculated Property
η	0.0001863	Pa×s	533.20	Joback Calculated Property
η	0.0001322	Pa×s	582.49	Joback Calculated Property
η	0.0000990	Pa×s	631.78	Joback 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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