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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.87; 806.12]	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			-3.19800e+01
Coefficient B			1.32378e+00
Coefficient C			-4.18280e-04
Coefficient D			-6.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	296.87	J/mol×K	273.00	Calculated Property
Cp,gas	381.01	J/mol×K	353.78	Calculated Property
Cp,gas	458.76	J/mol×K	434.56	Calculated Property
Cp,gas	529.90	J/mol×K	515.33	Calculated Property
Cp,gas	594.23	J/mol×K	596.11	Calculated Property
Cp,gas	651.52	J/mol×K	676.89	Calculated Property
Cp,gas	701.57	J/mol×K	757.67	Calculated Property
Cp,gas	744.16	J/mol×K	838.44	Calculated Property
Cp,gas	779.08	J/mol×K	919.22	Calculated Property
Cp,gas	806.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050581; 0.0000778]	Pa×s	[276.57; 578.90]	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			-1.32815e+01
Coefficient B			2.21110e+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.			276.57
Temperature range, max.			578.90
η	0.0050581	Pa×s	276.57	Calculated Property
η	0.0021279	Pa×s	310.16	Calculated Property
η	0.0010602	Pa×s	343.75	Calculated Property
η	0.0005980	Pa×s	377.35	Calculated Property
η	0.0003704	Pa×s	410.94	Calculated Property
η	0.0002467	Pa×s	444.53	Calculated Property
η	0.0001739	Pa×s	478.12	Calculated Property
η	0.0001284	Pa×s	511.71	Calculated Property
η	0.0000984	Pa×s	545.30	Calculated Property
η	0.0000778	Pa×s	578.90	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

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