Chemical Properties of Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)- (CAS 546-79-2)

InChI

InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3

InChI Key

KXSDPILWMGFJMM-UHFFFAOYSA-N

Formula

C10H18O

SMILES

CC(C)C12CCC(C)(O)C1C2

Molecular Weight¹

154.25

CAS

546-79-2

Other Names

• 4-Thujanol
• Sabinene hydrate
• (Z)-Sabinene hydrate
• 2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol

• 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°	6.97	kJ/mol	Joback Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Inp	[1033.00; 1125.00]
Inp	1096.00		NIST
Inp	1053.00		NIST
Inp	1068.00		NIST
Inp	1114.00		NIST
Inp	1096.00		NIST
Inp	1051.00		NIST
Inp	1082.00		NIST
Inp	1068.00		NIST
Inp	1109.00		NIST
Inp	1095.00		NIST
Inp	1090.00		NIST
Inp	1033.00		NIST
Inp	1068.00		NIST
Inp	1070.00		NIST
Inp	1094.00		NIST
Inp	1125.00		NIST
Inp	1070.00		NIST
Inp	1102.00		NIST
Inp	1040.00		NIST
Inp	1077.00		NIST
Inp	1040.00		NIST
Inp	1082.00		NIST
Inp	1051.00		NIST
Inp	1109.00		NIST
Inp	1070.00		NIST
I	[1469.00; 1469.00]
I	1469.00		NIST
I	1469.00		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	[353.14; 430.42]	J/mol×K	[529.23; 727.62]
Cp,gas	353.14	J/mol×K	529.23	Joback Calculated Property
Cp,gas	368.19	J/mol×K	562.29	Joback Calculated Property
Cp,gas	382.12	J/mol×K	595.36	Joback Calculated Property
Cp,gas	395.11	J/mol×K	628.42	Joback Calculated Property
Cp,gas	407.37	J/mol×K	661.49	Joback Calculated Property
Cp,gas	419.07	J/mol×K	694.55	Joback Calculated Property
Cp,gas	430.42	J/mol×K	727.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(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

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