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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.84; 581.57]	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			3.67200e+00
Coefficient B			1.02138e+00
Coefficient C			-5.47080e-04
Coefficient D			1.03600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.84	J/mol×K	273.00	Calculated Property
Cp,gas	301.13	J/mol×K	353.78	Calculated Property
Cp,gas	352.71	J/mol×K	434.56	Calculated Property
Cp,gas	398.91	J/mol×K	515.33	Calculated Property
Cp,gas	440.07	J/mol×K	596.11	Calculated Property
Cp,gas	476.50	J/mol×K	676.89	Calculated Property
Cp,gas	508.54	J/mol×K	757.67	Calculated Property
Cp,gas	536.51	J/mol×K	838.44	Calculated Property
Cp,gas	560.75	J/mol×K	919.22	Calculated Property
Cp,gas	581.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034190; 0.0000884]	Pa×s	[346.07; 575.68]	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			-1.48429e+01
Coefficient B			3.17157e+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.			346.07
Temperature range, max.			575.68
η	0.0034190	Pa×s	346.07	Calculated Property
η	0.0018224	Pa×s	371.58	Calculated Property
η	0.0010531	Pa×s	397.09	Calculated Property
η	0.0006503	Pa×s	422.61	Calculated Property
η	0.0004242	Pa×s	448.12	Calculated Property
η	0.0002897	Pa×s	473.63	Calculated Property
η	0.0002057	Pa×s	499.14	Calculated Property
η	0.0001511	Pa×s	524.65	Calculated Property
η	0.0001141	Pa×s	550.17	Calculated Property
η	0.0000884	Pa×s	575.68	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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