Chemical Properties of Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1«alpha»,3«beta»,5«alpha»)]- (CAS 471-16-9)

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

InChI Key

MDFQXBNVOAKNAY-UHFFFAOYSA-N

Formula

C10H16O

SMILES

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

Molecular Weight¹

152.23

CAS

471-16-9

Other Names

• 4(10)-Thujen-3-ol, (1S,3R,5S)-(+)-
• (+)-Sabinol
• trans-Sabinol
• Sabinol
• Sabinol, (+)-
• thuj-4(10)-en-3-ol
• (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_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°	55.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-182.50	kJ/mol	Joback Calculated Property
ΔfusH°	12.11	kJ/mol	Joback Calculated Property
ΔvapH°	52.67	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	1.969		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3131.49	kPa	Joback Calculated Property
Inp	[1114.00; 1179.00]
Inp	1139.00		NIST
Inp	1130.00		NIST
Inp	1143.00		NIST
Inp	1133.00		NIST
Inp	1134.00		NIST
Inp	1143.10		NIST
Inp	1136.00		NIST
Inp	1143.00		NIST
Inp	1136.00		NIST
Inp	1132.00		NIST
Inp	1149.00		NIST
Inp	1141.00		NIST
Inp	1142.00		NIST
Inp	1114.00		NIST
Inp	1114.00		NIST
Inp	1114.00		NIST
Inp	1117.00		NIST
Inp	1147.00		NIST
Inp	1144.00		NIST
Inp	1142.00		NIST
Inp	1147.00		NIST
Inp	1135.00		NIST
Inp	1130.00		NIST
Inp	Outlier 1178.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1140.00		NIST
Inp	1143.00		NIST
Inp	Outlier 1179.00		NIST
Inp	1137.00		NIST
Inp	1128.00		NIST
Inp	1144.00		NIST
Inp	Outlier 1178.00		NIST
Inp	1170.00		NIST
Inp	1139.00		NIST
Inp	1144.00		NIST
Inp	1136.00		NIST
Inp	1141.00		NIST
Inp	1117.00		NIST
I	[1782.00; 1820.00]
I	1820.00		NIST
I	1790.00		NIST
I	1783.00		NIST
I	1800.00		NIST
I	1800.00		NIST
I	1782.00		NIST
Tboil	528.15	K	Joback Calculated Property
Tc	720.59	K	Joback Calculated Property
Tfus	317.50	K	Joback Calculated Property
Vc	0.503	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.82; 407.43]	J/mol×K	[528.15; 720.59]
Cp,gas	334.82	J/mol×K	528.15	Joback Calculated Property
Cp,gas	348.84	J/mol×K	560.22	Joback Calculated Property
Cp,gas	361.94	J/mol×K	592.30	Joback Calculated Property
Cp,gas	374.24	J/mol×K	624.37	Joback Calculated Property
Cp,gas	385.85	J/mol×K	656.45	Joback Calculated Property
Cp,gas	396.88	J/mol×K	688.52	Joback Calculated Property
Cp,gas	407.43	J/mol×K	720.59	Joback Calculated Property

Similar Compounds

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

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.