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/t14-,15+/m1/s1

InChI Key

BQSLMQNYHVFRDT-CABCVRRESA-N

Formula

C15H24

SMILES

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

Molecular Weight¹

204.35

CAS

30824-67-0

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.2893		Relay (1.0) Calculated Property
ΔfG°	290.71	kJ/mol	Joback Calculated Property
ΔfH°gas	43.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.36	kJ/mol	Joback Calculated Property
ΔvapH°	59.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-5.19		Relay (1.0) 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	[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
I	[1641.00; 1651.00]
I	1641.00		NIST
I	1651.00		NIST
I	1650.00		NIST
I	1650.00		NIST
Tboil	525.25	K	Relay (1.0) Calculated Property
Tc	705.56	K	Relay (1.0) Calculated Property
Tfus	226.49	K	Relay (1.0) Calculated Property
Vc	0.662	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• 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.