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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.93	kJ/mol	Joback Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan 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
Ip	[1694.00; 1718.00]
Ip	1718.00		NIST
Ip	1694.00		NIST
Tboil	540.89	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.33; 688.15]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.39300e+01
Coefficient B			1.43968e+00
Coefficient C			-8.71000e-04
Coefficient D			2.03400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.33	J/mol×K	273.00	Calculated Property
Cp,gas	325.39	J/mol×K	353.78	Calculated Property
Cp,gas	393.90	J/mol×K	434.56	Calculated Property
Cp,gas	454.51	J/mol×K	515.33	Calculated Property
Cp,gas	507.86	J/mol×K	596.11	Calculated Property
Cp,gas	554.58	J/mol×K	676.89	Calculated Property
Cp,gas	595.33	J/mol×K	757.67	Calculated Property
Cp,gas	630.75	J/mol×K	838.44	Calculated Property
Cp,gas	661.47	J/mol×K	919.22	Calculated Property
Cp,gas	688.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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