Chemical Properties of Elemene (CAS 11029-06-4)

InChI

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

InChI Key

OPFTUNCRGUEPRZ-UHFFFAOYSA-N

Formula

C15H24

SMILES

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

Molecular Weight¹

204.35

CAS

11029-06-4

• 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°	325.38	kJ/mol	Joback Calculated Property
ΔfH°gas	32.66	kJ/mol	Joback Calculated Property
ΔfusH°	15.82	kJ/mol	Joback Calculated Property
ΔvapH°	45.79	kJ/mol	Joback Calculated Property
log10WS	-4.83		Crippen Calculated Property
logPoct/wat	4.747		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
Pc	1829.41	kPa	Joback Calculated Property
Inp	[1445.00; 1494.00]
Inp	1445.00		NIST
Inp	1494.00		NIST
I	[1576.00; 1628.00]
I	1576.00		NIST
I	1582.00		NIST
I	1628.00		NIST
Tboil	542.85	K	Joback Calculated Property
Tc	754.13	K	Joback Calculated Property
Tfus	248.41	K	Joback Calculated Property
Vc	0.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[488.78; 606.82]	J/mol×K	[542.85; 754.13]
Cp,gas	488.78	J/mol×K	542.85	Joback Calculated Property
Cp,gas	511.42	J/mol×K	578.06	Joback Calculated Property
Cp,gas	532.71	J/mol×K	613.28	Joback Calculated Property
Cp,gas	552.77	J/mol×K	648.49	Joback Calculated Property
Cp,gas	571.73	J/mol×K	683.70	Joback Calculated Property
Cp,gas	589.70	J/mol×K	718.92	Joback Calculated Property
Cp,gas	606.82	J/mol×K	754.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Elemene.

Sources

• 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.