Chemical Properties of 15-nor-Prezizaan-7-one (CAS 114299-44-4)

InChI

InChI=1S/C14H22O/c1-9-4-5-11-13(2,3)12(15)10-6-7-14(9,11)8-10/h9-11H,4-8H2,1-3H3

InChI Key

JUNOMGCJVMTXEV-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CC1CCC2C(C)(C)C(=O)C3CCC12C3

Molecular Weight¹

206.32

CAS

114299-44-4

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.28	kJ/mol	Joback Calculated Property
logPoct/wat	3.428		Crippen Calculated Property
McVol	177.110	ml/mol	McGowan Calculated Property
Inp	[1581.10; 1581.10]
Inp	1581.10		NIST
Inp	1581.10		NIST
Tfus	380.23	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[225.41; 711.48]	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			-2.22480e+02
Coefficient B			2.12986e+00
Coefficient C			-2.01600e-03
Coefficient D			8.20100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	225.41	J/mol×K	273.00	Calculated Property
Cp,gas	315.01	J/mol×K	353.78	Calculated Property
Cp,gas	389.66	J/mol×K	434.56	Calculated Property
Cp,gas	451.96	J/mol×K	515.33	Calculated Property
Cp,gas	504.49	J/mol×K	596.11	Calculated Property
Cp,gas	549.85	J/mol×K	676.89	Calculated Property
Cp,gas	590.64	J/mol×K	757.67	Calculated Property
Cp,gas	629.44	J/mol×K	838.44	Calculated Property
Cp,gas	668.86	J/mol×K	919.22	Calculated Property
Cp,gas	711.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 15-nor-Prezizaan-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.
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