Chemical Properties of 14-Oxocalamenene

InChI

InChI=1S/C15H20O/c1-10(2)13-7-5-12(9-16)14-6-4-11(3)8-15(13)14/h4,6,8-10,12-13H,5,7H2,1-3H3/t12-,13-/m1/s1

InChI Key

RXELGPYYZBYBFV-CHWSQXEVSA-N

Formula

C15H20O

SMILES

Cc1ccc2c(c1)C(C(C)C)CCC2C=O

Molecular Weight¹

216.32

• 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°	23.74	kJ/mol	Joback Calculated Property
logPoct/wat	3.811		Crippen Calculated Property
McVol	189.160	ml/mol	McGowan Calculated Property
I	[2495.00; 2495.00]
I	2495.00		NIST
I	2495.00		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	[250.06; 648.08]	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			-5.57600e+01
Coefficient B			1.32616e+00
Coefficient C			-8.03920e-04
Coefficient D			1.81600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.06	J/mol×K	273.00	Calculated Property
Cp,gas	320.83	J/mol×K	353.78	Calculated Property
Cp,gas	383.62	J/mol×K	434.56	Calculated Property
Cp,gas	439.01	J/mol×K	515.33	Calculated Property
Cp,gas	487.57	J/mol×K	596.11	Calculated Property
Cp,gas	529.88	J/mol×K	676.89	Calculated Property
Cp,gas	566.52	J/mol×K	757.67	Calculated Property
Cp,gas	598.04	J/mol×K	838.44	Calculated Property
Cp,gas	625.04	J/mol×K	919.22	Calculated Property
Cp,gas	648.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021706; 0.0004339]	Pa×s	[347.45; 598.33]	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			-9.97222e+00
Coefficient B			1.33403e+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.			347.45
Temperature range, max.			598.33
η	0.0021706	Pa×s	347.45	Calculated Property
η	0.0016321	Pa×s	375.33	Calculated Property
η	0.0012765	Pa×s	403.20	Calculated Property
η	0.0010306	Pa×s	431.08	Calculated Property
η	0.0008540	Pa×s	458.95	Calculated Property
η	0.0007231	Pa×s	486.83	Calculated Property
η	0.0006234	Pa×s	514.70	Calculated Property
η	0.0005456	Pa×s	542.58	Calculated Property
η	0.0004839	Pa×s	570.46	Calculated Property
η	0.0004339	Pa×s	598.33	Calculated Property

Similar Compounds

Find more compounds similar to 14-Oxocalamenene.

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.
These property values are available through the Cheméo API. A free account gives you an access key.