Chemical Properties of dimer of «alpha»-phellandrene

InChI

InChI=1S/C20H32/c1-11(2)15-8-7-13(5)19-18-9-14(6)17(20(15)19)10-16(18)12(3)4/h7,9,11-12,15-20H,8,10H2,1-6H3

InChI Key

YCGKKSPKOFEYNJ-UHFFFAOYSA-N

Formula

C20H32

SMILES

CC1=CC2C(C(C)C)CC1C1C(C(C)C)CC=C(C)C21

Molecular Weight¹

272.47

• 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

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	[343.07; 948.07]	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			-1.22770e+02
Coefficient B			2.02912e+00
Coefficient C			-1.26628e-03
Coefficient D			3.08000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.07	J/mol×K	273.00	Calculated Property
Cp,gas	450.24	J/mol×K	353.78	Calculated Property
Cp,gas	545.15	J/mol×K	434.56	Calculated Property
Cp,gas	628.77	J/mol×K	515.33	Calculated Property
Cp,gas	702.08	J/mol×K	596.11	Calculated Property
Cp,gas	766.06	J/mol×K	676.89	Calculated Property
Cp,gas	821.67	J/mol×K	757.67	Calculated Property
Cp,gas	869.89	J/mol×K	838.44	Calculated Property
Cp,gas	911.70	J/mol×K	919.22	Calculated Property
Cp,gas	948.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019197; 0.0012494]	Pa×s	[342.26; 625.27]	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			-7.20445e+00
Coefficient B			3.24760e+02
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.			342.26
Temperature range, max.			625.27
η	0.0019197	Pa×s	342.26	Calculated Property
η	0.0017724	Pa×s	373.71	Calculated Property
η	0.0016568	Pa×s	405.15	Calculated Property
η	0.0015638	Pa×s	436.60	Calculated Property
η	0.0014876	Pa×s	468.04	Calculated Property
η	0.0014240	Pa×s	499.49	Calculated Property
η	0.0013702	Pa×s	530.93	Calculated Property
η	0.0013242	Pa×s	562.38	Calculated Property
η	0.0012843	Pa×s	593.83	Calculated Property
η	0.0012494	Pa×s	625.27	Calculated Property

Similar Compounds

Find more compounds similar to dimer of «alpha»-phellandrene.

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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