Chemical Properties of 4-(2,3,6-Trimethylphenyl)butan-2-ol

InChI

InChI=1S/C13H20O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14/h5-6,11,14H,7-8H2,1-4H3

InChI Key

IMXWSBUOJQZJJZ-UHFFFAOYSA-N

Formula

C13H20O

SMILES

Cc1ccc(C)c(CCC(C)O)c1C

Molecular Weight¹

192.30

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.86	kJ/mol	Joback Calculated Property
logPoct/wat	2.925		Crippen Calculated Property
McVol	176.140	ml/mol	McGowan Calculated Property
Inp	[1500.00; 1500.00]
Inp	1500.00		NIST
Inp	1500.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[456.09; 531.27]	J/mol×K	[630.40; 822.40]
Cp,gas	456.09	J/mol×K	630.40	Joback Calculated Property
Cp,gas	470.30	J/mol×K	662.40	Joback Calculated Property
Cp,gas	483.81	J/mol×K	694.40	Joback Calculated Property
Cp,gas	496.64	J/mol×K	726.40	Joback Calculated Property
Cp,gas	508.81	J/mol×K	758.40	Joback Calculated Property
Cp,gas	520.35	J/mol×K	790.40	Joback Calculated Property
Cp,gas	531.27	J/mol×K	822.40	Joback Calculated Property
η	[0.0000548; 0.0034190]	Pa×s	[346.07; 630.40]
η	0.0034190	Pa×s	346.07	Joback Calculated Property
η	0.0011338	Pa×s	393.46	Joback Calculated Property
η	0.0004767	Pa×s	440.85	Joback Calculated Property
η	0.0002371	Pa×s	488.24	Joback Calculated Property
η	0.0001335	Pa×s	535.62	Joback Calculated Property
η	0.0000825	Pa×s	583.01	Joback Calculated Property
η	0.0000548	Pa×s	630.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(2,3,6-Trimethylphenyl)butan-2-ol.

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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