Chemical Properties of «beta»-Thujamenthol

InChI

InChI=1S/C10H20O/c1-6(2)9-5-10(11)8(4)7(9)3/h6-11H,5H2,1-4H3

InChI Key

OCXDXSYNPZROSW-UHFFFAOYSA-N

Formula

C10H20O

SMILES

CC(C)C1CC(O)C(C)C1C

Molecular Weight¹

156.27

• 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).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.37	kJ/mol	Joback Calculated Property
ΔvapH°	75.34	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.295		Crippen Calculated Property
McVol	146.770	ml/mol	McGowan Calculated Property
Inp	[1174.00; 1174.00]
Inp	1174.00		NIST
Inp	1174.00		NIST
Tboil	478.20	K	Relay (1.0) Calculated Property
Tc	680.69	K	Relay (1.0) Calculated Property
Tfus	311.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation 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	[203.38; 557.72]	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			-4.52600e+01
Coefficient B			1.04598e+00
Coefficient C			-5.15000e-04
Coefficient D			7.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.38	J/mol×K	273.00	Calculated Property
Cp,gas	263.52	J/mol×K	353.78	Calculated Property
Cp,gas	317.93	J/mol×K	434.56	Calculated Property
Cp,gas	366.85	J/mol×K	515.33	Calculated Property
Cp,gas	410.51	J/mol×K	596.11	Calculated Property
Cp,gas	449.12	J/mol×K	676.89	Calculated Property
Cp,gas	482.92	J/mol×K	757.67	Calculated Property
Cp,gas	512.13	J/mol×K	838.44	Calculated Property
Cp,gas	536.99	J/mol×K	919.22	Calculated Property
Cp,gas	557.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0211480; 0.0002548]	Pa×s	[246.46; 493.10]	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			-1.26904e+01
Coefficient B			2.17728e+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.			246.46
Temperature range, max.			493.10
η	0.0211480	Pa×s	246.46	Calculated Property
η	0.0087368	Pa×s	273.86	Calculated Property
η	0.0042392	Pa×s	301.27	Calculated Property
η	0.0023205	Pa×s	328.67	Calculated Property
η	0.0013937	Pa×s	356.08	Calculated Property
η	0.0009003	Pa×s	383.48	Calculated Property
η	0.0006165	Pa×s	410.89	Calculated Property
η	0.0004426	Pa×s	438.29	Calculated Property
η	0.0003304	Pa×s	465.70	Calculated Property
η	0.0002548	Pa×s	493.10	Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Thujamenthol.

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

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