Chemical Properties of «gamma»-Cadinen-15-al

InChI

InChI=1S/C15H22O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h8-10,13-15H,3-7H2,1-2H3/t13-,14-,15-/m1/s1

InChI Key

BUKZRIKRHNKXNN-RBSFLKMASA-N

Formula

C15H22O

SMILES

C=C1CCC(C(C)C)C2C=C(C=O)CCC12

Molecular Weight¹

218.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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 : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.99	kJ/mol	Joback Calculated Property
logPoct/wat	3.760		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
I	[2423.00; 2423.00]
I	2423.00		NIST
I	2423.00		NIST
I	2423.00		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	[256.68; 691.51]	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			-7.16900e+01
Coefficient B			1.41314e+00
Coefficient C			-8.15640e-04
Coefficient D			1.65700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.68	J/mol×K	273.00	Calculated Property
Cp,gas	333.50	J/mol×K	353.78	Calculated Property
Cp,gas	401.97	J/mol×K	434.56	Calculated Property
Cp,gas	462.62	J/mol×K	515.33	Calculated Property
Cp,gas	515.96	J/mol×K	596.11	Calculated Property
Cp,gas	562.53	J/mol×K	676.89	Calculated Property
Cp,gas	602.84	J/mol×K	757.67	Calculated Property
Cp,gas	637.43	J/mol×K	838.44	Calculated Property
Cp,gas	666.81	J/mol×K	919.22	Calculated Property
Cp,gas	691.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026890; 0.0005314]	Pa×s	[330.33; 585.88]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.63595e+00
Coefficient B			1.22796e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			330.33
Temperature range, max.			585.88
η	0.0026890	Pa×s	330.33	Calculated Property
η	0.0020036	Pa×s	358.72	Calculated Property
η	0.0015587	Pa×s	387.12	Calculated Property
η	0.0012549	Pa×s	415.51	Calculated Property
η	0.0010388	Pa×s	443.91	Calculated Property
η	0.0008796	Pa×s	472.30	Calculated Property
η	0.0007590	Pa×s	500.70	Calculated Property
η	0.0006654	Pa×s	529.09	Calculated Property
η	0.0005912	Pa×s	557.49	Calculated Property
η	0.0005314	Pa×s	585.88	Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-Cadinen-15-al.

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

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