Chemical Properties of «gamma»-Elemene (CAS 30824-67-0)

InChI

InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3

InChI Key

BQSLMQNYHVFRDT-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=CC1(C)CCC(=C(C)C)CC1C(=C)C

Molecular Weight¹

204.36

CAS

30824-67-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.36	kJ/mol	Joback Calculated Property
logPoct/wat	4.891		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
Inp	[1397.00; 1455.00]
Inp	1434.00		NIST
Inp	1425.00		NIST
Inp	1434.00		NIST
Inp	1432.00		NIST
Inp	1425.00		NIST
Inp	1437.00		NIST
Inp	1451.00		NIST
Inp	1432.00		NIST
Inp	1437.00		NIST
Inp	Outlier 1397.00		NIST
Inp	1434.00		NIST
Inp	1427.00		NIST
Inp	1409.00		NIST
Inp	Outlier 1455.00		NIST
Inp	1437.00		NIST
Inp	1435.00		NIST
Inp	1430.00		NIST
Inp	1431.00		NIST
Inp	1432.00		NIST
Inp	1436.00		NIST
Inp	1436.00		NIST
Inp	1436.00		NIST
Inp	1433.00		NIST
Inp	1437.00		NIST
Inp	1440.00		NIST
Inp	1437.00		NIST
Inp	Outlier 1400.00		NIST
Inp	1434.00		NIST
Inp	1435.00		NIST
Inp	1436.00		NIST
Inp	1437.00		NIST
Ip	[1641.00; 1651.00]
Ip	1641.00		NIST
Ip	1651.00		NIST
Ip	1650.00		NIST
Ip	1650.00		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	[256.91; 700.71]	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			-1.14670e+02
Coefficient B			1.69868e+00
Coefficient C			-1.36930e-03
Coefficient D			4.86000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.91	J/mol×K	273.00	Calculated Property
Cp,gas	336.42	J/mol×K	353.78	Calculated Property
Cp,gas	404.81	J/mol×K	434.56	Calculated Property
Cp,gas	463.59	J/mol×K	515.33	Calculated Property
Cp,gas	514.30	J/mol×K	596.11	Calculated Property
Cp,gas	558.49	J/mol×K	676.89	Calculated Property
Cp,gas	597.69	J/mol×K	757.67	Calculated Property
Cp,gas	633.43	J/mol×K	838.44	Calculated Property
Cp,gas	667.26	J/mol×K	919.22	Calculated Property
Cp,gas	700.71	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-Elemene.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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