Chemical Properties of (+)-1,2,3,6-Tetrahydro-1,4-dimethylazulene

InChI

InChI=1S/C12H16/c1-9-5-3-4-6-11-10(2)7-8-12(9)11/h4-6,10H,3,7-8H2,1-2H3

InChI Key

QOXYDBYDOMCGHM-UHFFFAOYSA-N

Formula

C12H16

SMILES

CC1=CCC=CC2=C1CCC2C

Molecular Weight¹

160.26

• 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°	16.13	kJ/mol	Joback Calculated Property
logPoct/wat	3.619		Crippen Calculated Property
McVol	145.320	ml/mol	McGowan Calculated Property
Inp	[1244.00; 1244.00]
Inp	1244.00		NIST
Inp	1244.00		NIST
Inp	1244.00		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	[179.56; 495.33]	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			-6.86900e+01
Coefficient B			1.08724e+00
Coefficient C			-6.99920e-04
Coefficient D			1.76700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.56	J/mol×K	273.00	Calculated Property
Cp,gas	236.17	J/mol×K	353.78	Calculated Property
Cp,gas	286.10	J/mol×K	434.56	Calculated Property
Cp,gas	329.91	J/mol×K	515.33	Calculated Property
Cp,gas	368.14	J/mol×K	596.11	Calculated Property
Cp,gas	401.36	J/mol×K	676.89	Calculated Property
Cp,gas	430.14	J/mol×K	757.67	Calculated Property
Cp,gas	455.01	J/mol×K	838.44	Calculated Property
Cp,gas	476.56	J/mol×K	919.22	Calculated Property
Cp,gas	495.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016585; 0.0003244]	Pa×s	[290.88; 523.26]	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			-1.00762e+01
Coefficient B			1.06879e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			290.88
Temperature range, max.			523.26
η	0.0016585	Pa×s	290.88	Calculated Property
η	0.0012291	Pa×s	316.70	Calculated Property
η	0.0009531	Pa×s	342.52	Calculated Property
η	0.0007658	Pa×s	368.34	Calculated Property
η	0.0006332	Pa×s	394.16	Calculated Property
η	0.0005360	Pa×s	419.98	Calculated Property
η	0.0004626	Pa×s	445.80	Calculated Property
η	0.0004057	Pa×s	471.62	Calculated Property
η	0.0003606	Pa×s	497.44	Calculated Property
η	0.0003244	Pa×s	523.26	Calculated Property

Similar Compounds

Find more compounds similar to (+)-1,2,3,6-Tetrahydro-1,4-dimethylazulene.

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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