Chemical Properties of Prezizaene (CAS 116498-31-8)

InChI

InChI=1S/C15H24/c1-10-5-6-13-14(3,4)11(2)12-7-8-15(10,13)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12?,13+,15-/m0/s1

InChI Key

RFSYBMDOYOBTCL-RZLPUIOOSA-N

Formula

C15H24

SMILES

C=C1C2CCC3(C2)C(C)CCC3C1(C)C

Molecular Weight¹

204.35

CAS

116498-31-8

Other Names

• Preziza-7(15)-ene

• 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°	13.20	kJ/mol	Joback Calculated Property
logPoct/wat	4.415		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Inp	[1432.00; 1452.00]
Inp	1450.00		NIST
Inp	1450.00		NIST
Inp	1452.00		NIST
Inp	Outlier 1432.00		NIST
Inp	1449.00		NIST
Inp	1448.00		NIST
Ip	[1590.00; 1632.00]
Ip	1632.00		NIST
Ip	1590.00		NIST
Ip	1632.00		NIST
Tfus	333.13	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	[236.76; 732.03]	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			-2.37530e+02
Coefficient B			2.27566e+00
Coefficient C			-2.22200e-03
Coefficient D			9.15900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.76	J/mol×K	273.00	Calculated Property
Cp,gas	330.00	J/mol×K	353.78	Calculated Property
Cp,gas	406.93	J/mol×K	434.56	Calculated Property
Cp,gas	470.45	J/mol×K	515.33	Calculated Property
Cp,gas	523.44	J/mol×K	596.11	Calculated Property
Cp,gas	568.82	J/mol×K	676.89	Calculated Property
Cp,gas	609.47	J/mol×K	757.67	Calculated Property
Cp,gas	648.29	J/mol×K	838.44	Calculated Property
Cp,gas	688.18	J/mol×K	919.22	Calculated Property
Cp,gas	732.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Prezizaene.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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