Chemical Properties of «delta»-Ylangene

InChI

InChI=1S/C14H22/c1-8(2)10-6-7-11-12-5-4-9(3)13(11)14(10)12/h4-5,8-14H,6-7H2,1-3H3/t9?,10?,11?,12?,13-,14?/m1/s1

InChI Key

UJVZREQMNFOMLV-RVARXAPGSA-N

Formula

C14H22

SMILES

CC(C)C1CCC2C3C=CC(C)C2C31

Molecular Weight¹

190.32

• 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_p : 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	[227.26; 671.81]	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			-1.41770e+02
Coefficient B			1.64736e+00
Coefficient C			-1.17628e-03
Coefficient D			3.42500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.26	J/mol×K	273.00	Calculated Property
Cp,gas	308.97	J/mol×K	353.78	Calculated Property
Cp,gas	380.08	J/mol×K	434.56	Calculated Property
Cp,gas	441.66	J/mol×K	515.33	Calculated Property
Cp,gas	494.80	J/mol×K	596.11	Calculated Property
Cp,gas	540.58	J/mol×K	676.89	Calculated Property
Cp,gas	580.09	J/mol×K	757.67	Calculated Property
Cp,gas	614.41	J/mol×K	838.44	Calculated Property
Cp,gas	644.62	J/mol×K	919.22	Calculated Property
Cp,gas	671.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006844; 0.0016629]	Pa×s	[270.88; 515.79]	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			-5.41724e+00
Coefficient B			-5.06480e+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.			270.88
Temperature range, max.			515.79
η	0.0006844	Pa×s	270.88	Calculated Property
η	0.0008118	Pa×s	298.09	Calculated Property
η	0.0009357	Pa×s	325.31	Calculated Property
η	0.0010552	Pa×s	352.52	Calculated Property
η	0.0011697	Pa×s	379.73	Calculated Property
η	0.0012788	Pa×s	406.94	Calculated Property
η	0.0013826	Pa×s	434.16	Calculated Property
η	0.0014810	Pa×s	461.37	Calculated Property
η	0.0015744	Pa×s	488.58	Calculated Property
η	0.0016629	Pa×s	515.79	Calculated Property

Similar Compounds

Find more compounds similar to «delta»-Ylangene.

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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