Chemical Properties of «alpha»-Acoradiene

InChI

InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h6-7,9,11-13H,5,8,10H2,1-4H3/t12?,13-,15?/m1/s1

InChI Key

XTISJFXWBIASHF-JVWICGRDSA-N

Formula

C15H24

SMILES

CC1C=CC2(CC1)C(C(C)C)=CCC2C

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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.78	kJ/mol	Joback Calculated Property
logPoct/wat	4.581		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Inp	[1438.00; 1475.00]
Inp	1456.00		NIST
Inp	1465.00		NIST
Inp	1463.00		NIST
Inp	1461.00		NIST
Inp	1463.00		NIST
Inp	1461.00		NIST
Inp	1469.00		NIST
Inp	1446.00		NIST
Inp	Outlier 1438.00		NIST
Inp	1471.00		NIST
Inp	1463.00		NIST
Inp	1456.00		NIST
Inp	1445.00		NIST
Inp	1467.00		NIST
Inp	1461.00		NIST
Inp	1463.00		NIST
Inp	1471.00		NIST
Inp	1455.00		NIST
Inp	1475.00		NIST
Inp	1463.00		NIST
Inp	1463.00		NIST
Ip	[1680.00; 1690.00]
Ip	1690.00		NIST
Ip	1690.00		NIST
Ip	1690.00		NIST
Ip	1690.00		NIST
Ip	1690.00		NIST
Ip	1690.00		NIST
Ip	1690.00		NIST
Ip	1680.00		NIST
Ip	1690.00		NIST
Ip	1680.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[244.86; 708.67]	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			-1.47590e+02
Coefficient B			1.79208e+00
Coefficient C			-1.43492e-03
Coefficient D			4.99100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.86	J/mol×K	273.00	Calculated Property
Cp,gas	328.91	J/mol×K	353.78	Calculated Property
Cp,gas	401.16	J/mol×K	434.56	Calculated Property
Cp,gas	463.16	J/mol×K	515.33	Calculated Property
Cp,gas	516.52	J/mol×K	596.11	Calculated Property
Cp,gas	562.79	J/mol×K	676.89	Calculated Property
Cp,gas	603.56	J/mol×K	757.67	Calculated Property
Cp,gas	640.41	J/mol×K	838.44	Calculated Property
Cp,gas	674.92	J/mol×K	919.22	Calculated Property
Cp,gas	708.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Acoradiene.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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