Chemical Properties of Prenopsan-8-ol

InChI

InChI=1S/C15H28O/c1-12-6-5-7-14(4)8-9-15(12,16)11-13(2,3)10-14/h12,16H,5-11H2,1-4H3/t12-,14+,15?/m0/s1

InChI Key

OUUHVBGIOSOUTO-DJIKBVBFSA-N

Formula

C15H28O

SMILES

CC1CCCC2(C)CCC1(O)CC(C)(C)C2

Molecular Weight¹

224.38

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	7.71	kJ/mol	Joback Calculated Property
logPoct/wat	4.144		Crippen Calculated Property
McVol	206.360	ml/mol	McGowan Calculated Property
Inp	[1570.00; 1574.00]
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	1570.00		NIST
Inp	1571.00		NIST
Inp	1574.00		NIST
Inp	1570.00		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	[257.59; 815.54]	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			-2.69640e+02
Coefficient B			2.53938e+00
Coefficient C			-2.51800e-03
Coefficient D			1.06380e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.59	J/mol×K	273.00	Calculated Property
Cp,gas	360.69	J/mol×K	353.78	Calculated Property
Cp,gas	445.66	J/mol×K	434.56	Calculated Property
Cp,gas	515.87	J/mol×K	515.33	Calculated Property
Cp,gas	574.69	J/mol×K	596.11	Calculated Property
Cp,gas	625.47	J/mol×K	676.89	Calculated Property
Cp,gas	671.58	J/mol×K	757.67	Calculated Property
Cp,gas	716.38	J/mol×K	838.44	Calculated Property
Cp,gas	763.25	J/mol×K	919.22	Calculated Property
Cp,gas	815.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Prenopsan-8-ol.

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.