Chemical Properties of «beta»-Isocomene (CAS 74311-15-2)

InChI

InChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h11H,2,5-10H2,1,3-4H3/t11-,13+,14+,15-/m0/s1

InChI Key

KPKLYXVMHOVJJL-MYPMTAMASA-N

Formula

C15H24

SMILES

C=C1CC2(C)CCCC23C(C)CCC13C

Molecular Weight¹

204.35

CAS

74311-15-2

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	5.83	kJ/mol	Joback Calculated Property
logPoct/wat	4.559		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Inp	[1384.00; 1416.00]
Inp	1405.00		NIST
Inp	1403.00		NIST
Inp	1406.00		NIST
Inp	1406.00		NIST
Inp	1395.00		NIST
Inp	1402.00		NIST
Inp	1406.00		NIST
Inp	Outlier 1384.00		NIST
Inp	1412.00		NIST
Inp	1399.00		NIST
Inp	1412.00		NIST
Inp	1411.00		NIST
Inp	1416.00		NIST
Inp	1407.00		NIST
Inp	1400.00		NIST
Inp	1409.00		NIST
Inp	1407.00		NIST
Inp	1403.00		NIST
Inp	1406.00		NIST
Inp	1412.00		NIST
Ip	[1548.00; 1599.00]
Ip	1548.00		NIST
Ip	1561.00		NIST
Ip	1571.00		NIST
Ip	1571.00		NIST
Ip	1587.00		NIST
Ip	1549.00		NIST
Ip	1599.00		NIST
Ip	1587.00		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	[230.56; 732.70]	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			-2.93460e+02
Coefficient B			2.59406e+00
Coefficient C			-2.81000e-03
Coefficient D			1.24210e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.56	J/mol×K	273.00	Calculated Property
Cp,gas	327.56	J/mol×K	353.78	Calculated Property
Cp,gas	405.09	J/mol×K	434.56	Calculated Property
Cp,gas	467.09	J/mol×K	515.33	Calculated Property
Cp,gas	517.47	J/mol×K	596.11	Calculated Property
Cp,gas	560.17	J/mol×K	676.89	Calculated Property
Cp,gas	599.11	J/mol×K	757.67	Calculated Property
Cp,gas	638.23	J/mol×K	838.44	Calculated Property
Cp,gas	681.45	J/mol×K	919.22	Calculated Property
Cp,gas	732.70	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Isocomene.

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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