Chemical Properties of «beta»-Vetivenene

InChI

InChI=1S/C15H24/c1-9(2)13-7-14-10(3)11-4-5-12(6-11)15(14)8-13/h9,11-15H,3-8H2,1-2H3/t11-,12+,13?,14?,15?/m0/s1

InChI Key

DFUVGLKCFAASAU-PBWBXLIUSA-N

Formula

C15H24

SMILES

C=C1C2CCC(C2)C2CC(C(C)C)CC12

Molecular Weight¹

204.35

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.27	kJ/mol	Joback Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Inp	[1552.00; 1553.00]
Inp	1553.00		NIST
Inp	1552.00		NIST
Inp	1553.00		NIST
Inp	1552.00		NIST
I	1836.00		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	[244.30; 717.91]	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			-1.39230e+02
Coefficient B			1.69774e+00
Coefficient C			-1.16000e-03
Coefficient D			3.19400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.30	J/mol×K	273.00	Calculated Property
Cp,gas	330.35	J/mol×K	353.78	Calculated Property
Cp,gas	405.69	J/mol×K	434.56	Calculated Property
Cp,gas	471.32	J/mol×K	515.33	Calculated Property
Cp,gas	528.27	J/mol×K	596.11	Calculated Property
Cp,gas	577.52	J/mol×K	676.89	Calculated Property
Cp,gas	620.10	J/mol×K	757.67	Calculated Property
Cp,gas	657.02	J/mol×K	838.44	Calculated Property
Cp,gas	689.29	J/mol×K	919.22	Calculated Property
Cp,gas	717.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014709; 0.0014888]	Pa×s	[295.79; 540.83]	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			-6.49513e+00
Coefficient B			-7.92000e+00
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.			295.79
Temperature range, max.			540.83
η	0.0014709	Pa×s	295.79	Calculated Property
η	0.0014742	Pa×s	323.02	Calculated Property
η	0.0014770	Pa×s	350.24	Calculated Property
η	0.0014794	Pa×s	377.47	Calculated Property
η	0.0014815	Pa×s	404.70	Calculated Property
η	0.0014833	Pa×s	431.92	Calculated Property
η	0.0014849	Pa×s	459.15	Calculated Property
η	0.0014864	Pa×s	486.38	Calculated Property
η	0.0014877	Pa×s	513.61	Calculated Property
η	0.0014888	Pa×s	540.83	Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Vetivenene.

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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