Chemical Properties of Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1«alpha»,3«alpha»,5«alpha»)- (CAS 3310-02-9)

InChI

InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9+,10+/m0/s1

InChI Key

MDFQXBNVOAKNAY-IVZWLZJFSA-N

Formula

C10H16O

SMILES

C=C1C(O)CC2(C(C)C)CC12

Molecular Weight¹

152.23

CAS

3310-02-9

Other Names

• (1R,3R,5R)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol
• 4(10)-Thujen-3-ol, stereoisomer
• (-)-cis-Sabinol
• 1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol-, (1«alpha»,3«alpha»,5«alpha»)-
• cis-Sabinol
• Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1R,3R,5R)-rel-(-)-
• 4(10)-Thujen-3-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_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.10	kJ/mol	Joback Calculated Property
logPoct/wat	1.969		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Inp	[1128.00; 1179.00]
Inp	1178.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1140.00		NIST
Inp	1143.00		NIST
Inp	1179.00		NIST
Inp	1137.00		NIST
Inp	1128.00		NIST
Inp	1144.00		NIST
Inp	1178.00		NIST
Inp	1170.00		NIST
Inp	1178.00		NIST
Inp	1179.00		NIST
Inp	1143.00		NIST
Ip	[1782.00; 1820.00]
Ip	1820.00		NIST
Ip	1820.00		NIST
Ip	1790.00		NIST
Ip	1783.00		NIST
Ip	1800.00		NIST
Ip	1800.00		NIST
Ip	1782.00		NIST
Tboil	472.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.76; 496.00]	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			-1.24840e+02
Coefficient B			1.44344e+00
Coefficient C			-1.37900e-03
Coefficient D			5.56400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.76	J/mol×K	273.00	Calculated Property
Cp,gas	237.86	J/mol×K	353.78	Calculated Property
Cp,gas	287.67	J/mol×K	434.56	Calculated Property
Cp,gas	328.94	J/mol×K	515.33	Calculated Property
Cp,gas	363.45	J/mol×K	596.11	Calculated Property
Cp,gas	392.94	J/mol×K	676.89	Calculated Property
Cp,gas	419.18	J/mol×K	757.67	Calculated Property
Cp,gas	443.93	J/mol×K	838.44	Calculated Property
Cp,gas	468.95	J/mol×K	919.22	Calculated Property
Cp,gas	496.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1«alpha»,3«alpha»,5«alpha»)-.

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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