Chemical Properties of 11,12,13-tri-nor-cis-Eudesma-5,8-dien-7-one

InChI

InChI=1S/C12H16O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h5,7-9H,3-4,6H2,1-2H3/t9-,12+/m0/s1

InChI Key

SPNLYFPIWOEXSG-JOYOIKCWSA-N

Formula

C12H16O

SMILES

CC1CCCC2(C)C=CC(=O)C=C12

Molecular Weight¹

176.25

Other Names

• 11,12,13-tris-nor-cis-Eudesma-5,8-dien-7-one

• 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°	9.97	kJ/mol	Joback Calculated Property
logPoct/wat	2.878		Crippen Calculated Property
McVol	151.190	ml/mol	McGowan Calculated Property
Inp	[1536.00; 1540.00]
Inp	1540.00		NIST
Inp	1536.00		NIST
Ip	2342.00		NIST
Tboil	521.78	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	[185.64; 545.83]	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			-1.12690e+02
Coefficient B			1.35934e+00
Coefficient C			-1.07992e-03
Coefficient D			3.79100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.64	J/mol×K	273.00	Calculated Property
Cp,gas	249.84	J/mol×K	353.78	Calculated Property
Cp,gas	305.20	J/mol×K	434.56	Calculated Property
Cp,gas	352.91	J/mol×K	515.33	Calculated Property
Cp,gas	394.18	J/mol×K	596.11	Calculated Property
Cp,gas	430.21	J/mol×K	676.89	Calculated Property
Cp,gas	462.19	J/mol×K	757.67	Calculated Property
Cp,gas	491.32	J/mol×K	838.44	Calculated Property
Cp,gas	518.80	J/mol×K	919.22	Calculated Property
Cp,gas	545.83	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 11,12,13-tri-nor-cis-Eudesma-5,8-dien-7-one.

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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