Chemical Properties of Geijerene (CAS 6902-73-4)

InChI

InChI=1S/C12H18/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5-6,8,11H,1-2,7,9H2,3-4H3

InChI Key

BGDQCKOAZKTOFV-UHFFFAOYSA-N

Formula

C12H18

SMILES

C=CC1(C)CCC=CC1C(=C)C

Molecular Weight¹

162.27

CAS

6902-73-4

Other Names

• 2-Isopropenyl-1-methyl-1-vinyl-3-cyclohexane
• Geyrene
• Geierene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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°	10.80	kJ/mol	Joback Calculated Property
logPoct/wat	3.721		Crippen Calculated Property
McVol	156.180	ml/mol	McGowan Calculated Property
Inp	[1120.00; 2074.00]
Inp	Outlier 2074.00		NIST
Inp	1126.00		NIST
Inp	1143.00		NIST
Inp	1150.00		NIST
Inp	1151.00		NIST
Inp	1139.00		NIST
Inp	1139.00		NIST
Inp	1135.00		NIST
Inp	1147.10		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1120.00		NIST
Inp	1140.00		NIST
Inp	1136.00		NIST
Inp	1131.00		NIST
Inp	1147.10		NIST
Inp	1143.00		NIST
Inp	1136.00		NIST
Inp	1142.00		NIST
Inp	1142.00		NIST
Ip	[1338.00; 2314.00]
Ip	2314.00		NIST
Ip	2314.00		NIST
Ip	1338.00		NIST
Ip	1338.00		NIST
Ip	1338.00		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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.33; 548.89]	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			-1.15570e+02
Coefficient B			1.43524e+00
Coefficient C			-1.22258e-03
Coefficient D			4.51800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.33	J/mol×K	273.00	Calculated Property
Cp,gas	259.17	J/mol×K	353.78	Calculated Property
Cp,gas	314.33	J/mol×K	434.56	Calculated Property
Cp,gas	361.21	J/mol×K	515.33	Calculated Property
Cp,gas	401.25	J/mol×K	596.11	Calculated Property
Cp,gas	435.89	J/mol×K	676.89	Calculated Property
Cp,gas	466.54	J/mol×K	757.67	Calculated Property
Cp,gas	494.64	J/mol×K	838.44	Calculated Property
Cp,gas	521.61	J/mol×K	919.22	Calculated Property
Cp,gas	548.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Geijerene.

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.
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