Chemical Properties of Isogermacrene D

InChI

InChI=1S/C16H26/c1-13(2)16-10-6-9-14(3)7-5-8-15(4)11-12-16/h6,8-9,13,16H,3,5,7,10-12H2,1-2,4H3/b9-6-,15-8+/t16-/m1/s1

InChI Key

NDKRHWBZQMLINJ-DPFABPHNSA-N

Formula

C16H26

SMILES

C=C1C=CCC(C(C)C)CCC(C)=CCC1

Molecular Weight¹

218.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[268.12; 741.74]	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			-5.24000e+01
Coefficient B			1.31486e+00
Coefficient C			-5.13920e-04
Coefficient D			-6.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.12	J/mol×K	273.00	Calculated Property
Cp,gas	348.15	J/mol×K	353.78	Calculated Property
Cp,gas	421.37	J/mol×K	434.56	Calculated Property
Cp,gas	487.78	J/mol×K	515.33	Calculated Property
Cp,gas	547.34	J/mol×K	596.11	Calculated Property
Cp,gas	600.04	J/mol×K	676.89	Calculated Property
Cp,gas	645.85	J/mol×K	757.67	Calculated Property
Cp,gas	684.75	J/mol×K	838.44	Calculated Property
Cp,gas	716.72	J/mol×K	919.22	Calculated Property
Cp,gas	741.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0098418; 0.0000548]	Pa×s	[272.58; 584.76]	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			-1.43457e+01
Coefficient B			2.65074e+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.			272.58
Temperature range, max.			584.76
η	0.0098418	Pa×s	272.58	Calculated Property
η	0.0032833	Pa×s	307.27	Calculated Property
η	0.0013686	Pa×s	341.95	Calculated Property
η	0.0006702	Pa×s	376.64	Calculated Property
η	0.0003702	Pa×s	411.33	Calculated Property
η	0.0002243	Pa×s	446.01	Calculated Property
η	0.0001461	Pa×s	480.70	Calculated Property
η	0.0001008	Pa×s	515.39	Calculated Property
η	0.0000729	Pa×s	550.07	Calculated Property
η	0.0000548	Pa×s	584.76	Calculated Property

Similar Compounds

Find more compounds similar to Isogermacrene D.

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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