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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[555.94; 683.40]	J/mol×K	[608.60; 835.37]
Cp,gas	555.94	J/mol×K	608.60	Joback Calculated Property
Cp,gas	580.95	J/mol×K	646.40	Joback Calculated Property
Cp,gas	604.46	J/mol×K	684.19	Joback Calculated Property
Cp,gas	626.46	J/mol×K	721.99	Joback Calculated Property
Cp,gas	646.95	J/mol×K	759.78	Joback Calculated Property
Cp,gas	665.93	J/mol×K	797.58	Joback Calculated Property
Cp,gas	683.40	J/mol×K	835.37	Joback Calculated Property
η	[0.0000458; 0.0098418]	Pa×s	[272.58; 608.60]
η	0.0098418	Pa×s	272.58	Joback Calculated Property
η	0.0018761	Pa×s	328.58	Joback Calculated Property
η	0.0005795	Pa×s	384.59	Joback Calculated Property
η	0.0002413	Pa×s	440.59	Joback Calculated Property
η	0.0001224	Pa×s	496.59	Joback Calculated Property
η	0.0000713	Pa×s	552.60	Joback Calculated Property
η	0.0000458	Pa×s	608.60	Joback 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.