Chemical Properties of 14-Oxo-calamene

InChI

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

InChI Key

LYDWFRQFTHOVPU-UHFFFAOYSA-N

Formula

C15H20O

SMILES

Cc1ccc(C(C)C)c2c1CCC(C=O)C2

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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.28	kJ/mol	Joback Calculated Property
logPoct/wat	3.422		Crippen Calculated Property
McVol	189.160	ml/mol	McGowan Calculated Property
Ip	[2470.00; 2470.00]
Ip	2470.00		NIST
Ip	2470.00		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	[250.35; 638.38]	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			-4.74000e+01
Coefficient B			1.29316e+00
Coefficient C			-7.92280e-04
Coefficient D			1.84900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.35	J/mol×K	273.00	Calculated Property
Cp,gas	319.12	J/mol×K	353.78	Calculated Property
Cp,gas	380.11	J/mol×K	434.56	Calculated Property
Cp,gas	433.91	J/mol×K	515.33	Calculated Property
Cp,gas	481.10	J/mol×K	596.11	Calculated Property
Cp,gas	522.26	J/mol×K	676.89	Calculated Property
Cp,gas	557.99	J/mol×K	757.67	Calculated Property
Cp,gas	588.86	J/mol×K	838.44	Calculated Property
Cp,gas	615.46	J/mol×K	919.22	Calculated Property
Cp,gas	638.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020191; 0.0003781]	Pa×s	[364.21; 605.70]	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			-1.04072e+01
Coefficient B			1.53046e+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.			364.21
Temperature range, max.			605.70
η	0.0020191	Pa×s	364.21	Calculated Property
η	0.0015133	Pa×s	391.04	Calculated Property
η	0.0011770	Pa×s	417.88	Calculated Property
η	0.0009437	Pa×s	444.71	Calculated Property
η	0.0007758	Pa×s	471.54	Calculated Property
η	0.0006514	Pa×s	498.37	Calculated Property
η	0.0005569	Pa×s	525.21	Calculated Property
η	0.0004833	Pa×s	552.04	Calculated Property
η	0.0004250	Pa×s	578.87	Calculated Property
η	0.0003781	Pa×s	605.70	Calculated Property

Similar Compounds

Find more compounds similar to 14-Oxo-calamene.

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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