Chemical Properties of Bicyclo[3.1.0]hex-3-en-2-ol, 2-methyl-5-(1-methylethyl)-, (1«alpha»,2«alpha»,5«alpha»)- (CAS 97631-68-0)

InChI

InChI=1S/C10H16O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h4-5,7-8,11H,6H2,1-3H3

InChI Key

MSEVJTQZWWZGMP-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC(C)C12C=CC(C)(O)C1C2

Molecular Weight¹

152.23

CAS

97631-68-0

Other Names

• 5-Isopropyl-2-methylbicyclo[3.1.0]hex-3-en-2-ol

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• 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
ω	0.4629		Relay (1.0) Calculated Property
ΔfG°	26.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.19	kJ/mol	Joback Calculated Property
ΔvapH°	61.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-2.47		Relay (1.0) Calculated Property
logPoct/wat	1.969		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3360.64	kPa	Joback Calculated Property
Inp	[1039.00; 1039.00]
Inp	1039.00		NIST
Inp	1039.00		NIST
Tboil	448.79	K	Relay (1.0) Calculated Property
Tc	695.17	K	Relay (1.0) Calculated Property
Tfus	279.71	K	Relay (1.0) Calculated Property
Vc	0.460	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[335.10; 406.12]	J/mol×K	[528.39; 728.63]
Cp,gas	335.10	J/mol×K	528.39	Joback Calculated Property
Cp,gas	349.04	J/mol×K	561.76	Joback Calculated Property
Cp,gas	361.87	J/mol×K	595.14	Joback Calculated Property
Cp,gas	373.80	J/mol×K	628.51	Joback Calculated Property
Cp,gas	385.01	J/mol×K	661.89	Joback Calculated Property
Cp,gas	395.72	J/mol×K	695.26	Joback Calculated Property
Cp,gas	406.12	J/mol×K	728.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.0]hex-3-en-2-ol, 2-methyl-5-(1-methylethyl)-, (1«alpha»,2«alpha»,5«alpha»)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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