Chemical Properties of Bicyclo[3.1.0]hex-2-ene, 4-methyl-1-(1-methylethyl)- (CAS 28634-89-1)

InChI

InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3

InChI Key

GJYKUZUTZNTBEC-UHFFFAOYSA-N

Formula

C10H16

SMILES

CC1C=CC2(C(C)C)CC12

Molecular Weight¹

136.23

CAS

28634-89-1

Other Names

• 1-Isopropyl-4-methylbicyclo[3.1.0]hex-2-ene
• 2-Thujene
• «beta»-Thujene

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.40	kJ/mol	Joback Calculated Property
logPoct/wat	2.855		Crippen Calculated Property
McVol	125.740	ml/mol	McGowan Calculated Property
Inp	[920.00; 978.00]
Inp	968.00		NIST
Inp	968.00		NIST
Inp	978.00		NIST
Inp	966.00		NIST
Inp	Outlier 920.00		NIST
Inp	978.00		NIST
Inp	968.00		NIST
I	[1107.00; 1133.00]
I	1117.00		NIST
I	1133.00		NIST
I	1107.00		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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[273.23; 363.91]	J/mol×K	[435.97; 640.39]
Cp,gas	273.23	J/mol×K	435.97	Joback Calculated Property
Cp,gas	291.43	J/mol×K	470.04	Joback Calculated Property
Cp,gas	308.21	J/mol×K	504.11	Joback Calculated Property
Cp,gas	323.71	J/mol×K	538.18	Joback Calculated Property
Cp,gas	338.07	J/mol×K	572.25	Joback Calculated Property
Cp,gas	351.42	J/mol×K	606.32	Joback Calculated Property
Cp,gas	363.91	J/mol×K	640.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.0]hex-2-ene, 4-methyl-1-(1-methylethyl)-.

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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