Chemical Properties of cis-«beta»-Elemene

InChI

InChI=1S/C15H26/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,11,13-14H,1,4,8-10H2,2-3,5-6H3/t13-,14+,15-/m0/s1

InChI Key

VGLVBDNQOXVDTC-ZNMIVQPWSA-N

Formula

C15H26

SMILES

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

Molecular Weight¹

206.37

• 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°	243.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-88.26	kJ/mol	Joback Calculated Property
ΔfusH°	14.89	kJ/mol	Joback Calculated Property
ΔvapH°	46.00	kJ/mol	Joback Calculated Property
log10WS	-4.74		Crippen Calculated Property
logPoct/wat	4.827		Crippen Calculated Property
McVol	202.750	ml/mol	McGowan Calculated Property
Pc	1769.87	kPa	Joback Calculated Property
Inp	[1370.00; 1396.00]
Inp	1396.00		NIST
Inp	1394.00		NIST
Inp	1370.00		NIST
Inp	1381.00		NIST
Inp	1396.00		NIST
I	1585.00		NIST
Tboil	545.85	K	Joback Calculated Property
Tc	753.47	K	Joback Calculated Property
Tfus	249.13	K	Joback Calculated Property
Vc	0.761	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.32; 631.17]	J/mol×K	[545.85; 753.47]
Cp,gas	509.32	J/mol×K	545.85	Joback Calculated Property
Cp,gas	532.57	J/mol×K	580.45	Joback Calculated Property
Cp,gas	554.50	J/mol×K	615.06	Joback Calculated Property
Cp,gas	575.21	J/mol×K	649.66	Joback Calculated Property
Cp,gas	594.81	J/mol×K	684.26	Joback Calculated Property
Cp,gas	613.43	J/mol×K	718.86	Joback Calculated Property
Cp,gas	631.17	J/mol×K	753.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-«beta»-Elemene.

Sources

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

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