Chemical Properties of cis-«beta»-Guaiene

InChI

InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1

InChI Key

GIBQERSGRNPMEH-RYUDHWBXSA-N

Formula

C15H24

SMILES

CC(C)=C1CCC(C)C2=C(C1)C(C)CC2

Molecular Weight¹

204.35

• 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°	196.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.89	kJ/mol	Joback Calculated Property
ΔfusH°	21.93	kJ/mol	Joback Calculated Property
ΔvapH°	51.98	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1961.34	kPa	Joback Calculated Property
Inp	[1478.00; 1495.00]
Inp	1495.00		NIST
Inp	1490.00		NIST
Inp	1478.00		NIST
Inp	1494.00		NIST
Inp	1491.00		NIST
Inp	1491.00		NIST
Inp	1490.00		NIST
Inp	1485.00		NIST
Inp	1478.00		NIST
Inp	1485.00		NIST
I	[1694.00; 1718.00]
I	1718.00		NIST
I	1694.00		NIST
Tboil	588.80	K	Joback Calculated Property
Tc	808.19	K	Joback Calculated Property
Tfus	302.81	K	Joback Calculated Property
Vc	0.728	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.31; 618.07]	J/mol×K	[588.80; 808.19]
Cp,gas	503.31	J/mol×K	588.80	Joback Calculated Property
Cp,gas	525.51	J/mol×K	625.37	Joback Calculated Property
Cp,gas	546.40	J/mol×K	661.93	Joback Calculated Property
Cp,gas	566.04	J/mol×K	698.50	Joback Calculated Property
Cp,gas	584.49	J/mol×K	735.06	Joback Calculated Property
Cp,gas	601.81	J/mol×K	771.63	Joback Calculated Property
Cp,gas	618.07	J/mol×K	808.19	Joback Calculated Property

Similar Compounds

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

Sources

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

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