Chemical Properties of Germacrene D-1,10-epoxide

InChI

InChI=1S/C16H28O/c1-12(2)15-9-6-13(3)7-11-16(17-5)14(4)8-10-15/h6,9,12,14-16H,3,7-8,10-11H2,1-2,4-5H3/b9-6+/t14?,15-,16?/m1/s1

InChI Key

KCOVYKLMLVCCRK-IMUFZNECSA-N

Formula

C16H28O

SMILES

C=C1C=CC(C(C)C)CCC(C)C(OC)CC1

Molecular Weight¹

236.39

• 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°	20.50	kJ/mol	Joback Calculated Property
logPoct/wat	4.596		Crippen Calculated Property
McVol	222.710	ml/mol	McGowan Calculated Property
Inp	1700.00		NIST
I	[2042.00; 2065.00]
I	2053.00		NIST
I	2042.00		NIST
I	2042.00		NIST
I	2053.00		NIST
I	2065.00		NIST
I	2053.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.99; 738.59]	J/mol×K	[613.27; 826.99]
Cp,gas	606.99	J/mol×K	613.27	Joback Calculated Property
Cp,gas	632.47	J/mol×K	648.89	Joback Calculated Property
Cp,gas	656.56	J/mol×K	684.51	Joback Calculated Property
Cp,gas	679.23	J/mol×K	720.13	Joback Calculated Property
Cp,gas	700.47	J/mol×K	755.75	Joback Calculated Property
Cp,gas	720.26	J/mol×K	791.37	Joback Calculated Property
Cp,gas	738.59	J/mol×K	826.99	Joback Calculated Property
η	[0.0000628; 0.0050581]	Pa×s	[276.57; 613.27]
η	0.0050581	Pa×s	276.57	Joback Calculated Property
η	0.0013132	Pa×s	332.69	Joback Calculated Property
η	0.0005032	Pa×s	388.80	Joback Calculated Property
η	0.0002456	Pa×s	444.92	Joback Calculated Property
η	0.0001408	Pa×s	501.04	Joback Calculated Property
η	0.0000903	Pa×s	557.15	Joback Calculated Property
η	0.0000628	Pa×s	613.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Germacrene D-1,10-epoxide.

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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