Chemical Properties of «gamma»-Elemene (CAS 29873-99-2)

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

204.35

CAS

29873-99-2

Other Names

• 1-Methyl-2-(1-methylethenyl)-4-(1-methylethylidene)-1-vinylcyclohexane), (1R-trans)-
• (-)-«gamma»-Elemene
• o-Menth-8-ene, 4-isopropylidene-1-vinyl, (-)-
• Elema-1,3,7-triene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	290.71	kJ/mol	Joback Calculated Property
ΔfH°gas	3.60	kJ/mol	Joback Calculated Property
ΔfusH°	16.36	kJ/mol	Joback Calculated Property
ΔvapH°	47.56	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	4.891		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
Pc	1861.11	kPa	Joback Calculated Property
Inp	[1410.00; 1482.00]
Inp	1441.00		NIST
Inp	1435.00		NIST
Inp	1440.00		NIST
Inp	Outlier 1465.00		NIST
Inp	1441.00		NIST
Inp	1433.00		NIST
Inp	1418.00		NIST
Inp	1431.00		NIST
Inp	1442.00		NIST
Inp	1423.00		NIST
Inp	1425.00		NIST
Inp	1434.00		NIST
Inp	Outlier 1482.00		NIST
Inp	1430.00		NIST
Inp	1440.00		NIST
Inp	1427.00		NIST
Inp	1430.00		NIST
Inp	Outlier 1480.00		NIST
Inp	1435.00		NIST
Inp	1433.00		NIST
Inp	1425.00		NIST
Inp	1430.00		NIST
Inp	1430.00		NIST
Inp	1432.00		NIST
Inp	1410.00		NIST
Inp	1437.00		NIST
Inp	1441.00		NIST
Inp	1434.00		NIST
Inp	1431.00		NIST
Inp	1426.00		NIST
Inp	1437.00		NIST
Inp	1439.00		NIST
Inp	1433.00		NIST
Inp	1429.00		NIST
Inp	1433.00		NIST
Inp	1434.00		NIST
Inp	1434.00		NIST
Inp	1437.00		NIST
Inp	1434.00		NIST
Inp	1418.00		NIST
Inp	1410.00		NIST
Inp	1430.00		NIST
Inp	1432.00		NIST
Inp	1437.00		NIST
Inp	1433.00		NIST
Inp	1435.00		NIST
Inp	1433.00		NIST
Inp	1433.00		NIST
Inp	1428.00		NIST
Inp	1436.00		NIST
Inp	1442.00		NIST
Inp	1425.00		NIST
Inp	1433.00		NIST
Inp	1423.00		NIST
Inp	1422.00		NIST
Inp	Outlier 1478.00		NIST
Inp	1441.00		NIST
Inp	1445.00		NIST
Inp	1441.00		NIST
Inp	1435.00		NIST
Inp	1437.00		NIST
Inp	1424.00		NIST
Inp	1437.00		NIST
Inp	1437.00		NIST
Inp	1427.00		NIST
Inp	1430.00		NIST
Inp	1437.00		NIST
Inp	1426.00		NIST
Inp	1431.00		NIST
Inp	1434.00		NIST
Inp	1431.00		NIST
Inp	1438.00		NIST
Inp	1430.00		NIST
Inp	1421.00		NIST
Inp	1431.00		NIST
Inp	1429.50		NIST
Inp	1439.00		NIST
Inp	1430.00		NIST
Inp	1433.00		NIST
Inp	1431.00		NIST
Inp	1417.00		NIST
Inp	1440.00		NIST
Inp	1427.00		NIST
Inp	1435.00		NIST
Inp	Outlier 1473.00		NIST
Inp	1428.00		NIST
Inp	1434.00		NIST
Inp	1439.00		NIST
Inp	1429.00		NIST
Inp	1442.00		NIST
Inp	1436.00		NIST
Inp	1415.00		NIST
Inp	1423.00		NIST
Inp	1421.00		NIST
Inp	1423.00		NIST
Inp	1415.00		NIST
Inp	1433.00		NIST
Inp	1420.00		NIST
Inp	1433.00		NIST
Inp	1433.00		NIST
Inp	1432.00		NIST
Inp	1436.00		NIST
Inp	1430.00		NIST
Inp	1437.00		NIST
Inp	1425.00		NIST
Inp	1446.00		NIST
Inp	1433.00		NIST
Inp	1423.00		NIST
Inp	1432.00		NIST
Inp	1427.00		NIST
Inp	1435.50		NIST
Inp	1440.00		NIST
Inp	1425.00		NIST
Inp	1442.00		NIST
Inp	1438.00		NIST
Inp	Outlier 1482.00		NIST
Inp	Outlier 1482.00		NIST
Inp	Outlier 1482.00		NIST
Inp	Outlier 1475.00		NIST
Inp	1458.00		NIST
Inp	1430.00		NIST
Inp	1425.00		NIST
Inp	1425.00		NIST
Inp	1432.00		NIST
Inp	1433.00		NIST
Inp	1425.00		NIST
Inp	1433.00		NIST
Inp	1430.00		NIST
Inp	1434.00		NIST
Inp	1437.00		NIST
Inp	1434.00		NIST
Inp	1435.00		NIST
Inp	1437.00		NIST
Inp	1437.00		NIST
Inp	1434.00		NIST
Inp	1434.00		NIST
Inp	1435.00		NIST
Inp	1433.00		NIST
Inp	1438.00		NIST
Inp	1437.00		NIST
Inp	1444.00		NIST
Inp	1434.00		NIST
Inp	1438.00		NIST
Inp	1437.00		NIST
Inp	1437.00		NIST
Inp	1433.00		NIST
Inp	1433.00		NIST
Inp	1437.00		NIST
Inp	1433.00		NIST
Inp	1434.00		NIST
Inp	1437.00		NIST
Inp	1457.00		NIST
Inp	1456.00		NIST
Inp	1425.00		NIST
Inp	1427.00		NIST
Inp	1425.00		NIST
Inp	1430.00		NIST
Inp	Outlier 1482.00		NIST
Inp	1441.00		NIST
Inp	1433.00		NIST
Inp	1425.00		NIST
Inp	1427.00		NIST
Inp	1437.00		NIST
Inp	1438.00		NIST
Inp	1439.00		NIST
Inp	1440.00		NIST
Inp	1434.00		NIST
Inp	1415.00		NIST
Inp	1436.00		NIST
Inp	Outlier 1482.00		NIST
I	[1607.00; 1665.00]
I	1625.00		NIST
I	Outlier 1608.00		NIST
I	Outlier 1609.00		NIST
I	1658.00		NIST
I	1636.00		NIST
I	Outlier 1607.00		NIST
I	1644.00		NIST
I	1636.00		NIST
I	1633.00		NIST
I	1644.00		NIST
I	1633.00		NIST
I	1641.00		NIST
I	1650.00		NIST
I	1639.00		NIST
I	1663.00		NIST
I	1633.00		NIST
I	1614.00		NIST
I	1650.00		NIST
I	1618.00		NIST
I	1641.00		NIST
I	1624.00		NIST
I	1618.00		NIST
I	1626.00		NIST
I	1639.00		NIST
I	1636.00		NIST
I	1638.00		NIST
I	1636.00		NIST
I	1641.00		NIST
I	1619.00		NIST
I	1642.00		NIST
I	1625.00		NIST
I	1628.00		NIST
I	1620.00		NIST
I	1651.00		NIST
I	1665.00		NIST
I	1648.00		NIST
I	1625.00		NIST
I	1642.00		NIST
I	1642.00		NIST
I	1650.00		NIST
I	1650.00		NIST
I	1650.00		NIST
I	1650.00		NIST
I	1650.00		NIST
I	1650.00		NIST
I	1650.00		NIST
I	1636.00		NIST
I	1650.00		NIST
I	1650.00		NIST
I	1650.00		NIST
I	1650.00		NIST
I	1650.00		NIST
I	1651.00		NIST
I	1651.00		NIST
I	1636.00		NIST
I	1644.00		NIST
I	1663.00		NIST
I	1650.00		NIST
I	1626.00		NIST
I	1641.00		NIST
I	1620.00		NIST
I	1642.00		NIST
Tboil	557.48	K	Joback Calculated Property
Tc	771.21	K	Joback Calculated Property
Tfus	264.77	K	Joback Calculated Property
Vc	0.752	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[490.96; 603.88]	J/mol×K	[557.48; 771.21]
Cp,gas	490.96	J/mol×K	557.48	Joback Calculated Property
Cp,gas	512.54	J/mol×K	593.10	Joback Calculated Property
Cp,gas	532.84	J/mol×K	628.72	Joback Calculated Property
Cp,gas	551.99	J/mol×K	664.35	Joback Calculated Property
Cp,gas	570.13	J/mol×K	699.97	Joback Calculated Property
Cp,gas	587.38	J/mol×K	735.59	Joback Calculated Property
Cp,gas	603.88	J/mol×K	771.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-Elemene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.