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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	169.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-56.73	kJ/mol	Joback Calculated Property
ΔfusH°	10.40	kJ/mol	Joback Calculated Property
ΔvapH°	36.12	kJ/mol	Joback Calculated Property
log10WS	-2.68		Crippen Calculated Property
logPoct/wat	2.855		Crippen Calculated Property
McVol	125.740	ml/mol	McGowan Calculated Property
Pc	2884.30	kPa	Joback 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
Tboil	435.97	K	Joback Calculated Property
Tc	640.39	K	Joback Calculated Property
Tfus	243.76	K	Joback Calculated Property
Vc	0.486	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.