Chemical Properties of Prezizaan-15-al

InChI

InChI=1S/C15H24O/c1-10-4-5-13-14(2,3)12(9-16)11-6-7-15(10,13)8-11/h9-13H,4-8H2,1-3H3/t10-,11+,12?,13?,15-/m1/s1

InChI Key

FHSLAXWYMZHYPS-BRUFSJIZSA-N

Formula

C15H24O

SMILES

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

Molecular Weight¹

220.35

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.72	kJ/mol	Joback Calculated Property
logPoct/wat	3.674		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Inp	[1660.00; 1683.00]
Inp	1661.00		NIST
Inp	1683.00		NIST
Inp	1663.00		NIST
Inp	1660.00		NIST
Inp	1661.00		NIST
Ip	[2155.00; 2155.00]
Ip	2155.00		NIST
Ip	2155.00		NIST
Tfus	358.14	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	[247.43; 761.38]	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			-2.42480e+02
Coefficient B			2.34116e+00
Coefficient C			-2.25200e-03
Coefficient D			9.14700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.43	J/mol×K	273.00	Calculated Property
Cp,gas	344.41	J/mol×K	353.78	Calculated Property
Cp,gas	424.68	J/mol×K	434.56	Calculated Property
Cp,gas	491.12	J/mol×K	515.33	Calculated Property
Cp,gas	546.63	J/mol×K	596.11	Calculated Property
Cp,gas	594.09	J/mol×K	676.89	Calculated Property
Cp,gas	636.40	J/mol×K	757.67	Calculated Property
Cp,gas	676.46	J/mol×K	838.44	Calculated Property
Cp,gas	717.16	J/mol×K	919.22	Calculated Property
Cp,gas	761.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Prezizaan-15-al.

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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