Chemical Properties of Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1«alpha»,2«beta»,5«alpha»)- (CAS 15537-55-0)

InChI

InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8?,9-,10-/m1/s1

InChI Key

KXSDPILWMGFJMM-VXRWAFEHSA-N

Formula

C10H18O

SMILES

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

Molecular Weight¹

154.25

CAS

15537-55-0

Other Names

• 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol-, (1«alpha»,2«beta»,5«alpha»)-
• (1R,2S,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol
• cis-Sabinene hydrate (cis for IP vs Me)
• cis-Sabinene hydrate
• Sabinene hydrate, cis
• cis-Sabinenhydrate
• (1«alpha»,2«beta»,5«alpha»)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
• Sabinene hydrate trans (trans for IP vs. OH)
• trans-Sabinene hydrate (trans for IP vs. OH)
• cis-Thujane-4-ol
• cis-4-Thujanol
• 15537-55-0
• Sabinene hydrate trans

• 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°	-3.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-251.50	kJ/mol	Joback Calculated Property
ΔfusH°	6.97	kJ/mol	Joback Calculated Property
ΔvapH°	51.36	kJ/mol	Joback Calculated Property
log10WS	-2.45		Crippen Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Pc	3224.64	kPa	Joback Calculated Property
Inp	[1050.00; 1099.00]
Inp	1067.00		NIST
Inp	1074.00		NIST
Inp	1060.00		NIST
Inp	1054.00		NIST
Inp	1059.00		NIST
Inp	1068.00		NIST
Inp	1068.00		NIST
Inp	1068.00		NIST
Inp	1064.00		NIST
Inp	1070.30		NIST
Inp	Outlier 1098.00		NIST
Inp	1081.00		NIST
Inp	1050.00		NIST
Inp	1068.00		NIST
Inp	1065.00		NIST
Inp	1070.00		NIST
Inp	1061.00		NIST
Inp	1069.00		NIST
Inp	1074.00		NIST
Inp	1062.00		NIST
Inp	1068.00		NIST
Inp	1070.00		NIST
Inp	1071.00		NIST
Inp	Outlier 1099.00		NIST
Inp	1070.00		NIST
Inp	1077.00		NIST
Inp	1052.00		NIST
Inp	1076.00		NIST
Inp	1057.00		NIST
Inp	1081.00		NIST
Inp	1070.00		NIST
Inp	Outlier 1097.00		NIST
Inp	1070.00		NIST
Inp	1058.00		NIST
Inp	1057.00		NIST
Inp	Outlier 1098.00		NIST
Inp	1091.00		NIST
Inp	1080.00		NIST
Inp	1071.00		NIST
Inp	1091.00		NIST
Inp	1089.00		NIST
Inp	1072.00		NIST
Inp	1059.00		NIST
Inp	1052.00		NIST
Inp	1080.00		NIST
Inp	1061.00		NIST
Inp	1068.00		NIST
Inp	1066.00		NIST
Inp	1070.00		NIST
Inp	1070.00		NIST
Inp	1074.00		NIST
Inp	1073.00		NIST
Inp	1069.00		NIST
Inp	1074.00		NIST
Inp	1068.00		NIST
Inp	1069.00		NIST
Inp	1051.00		NIST
Inp	1064.00		NIST
Inp	1069.00		NIST
Inp	1070.00		NIST
Inp	1070.00		NIST
Inp	1053.00		NIST
Inp	1053.00		NIST
Inp	1090.00		NIST
Inp	1070.30		NIST
Inp	1066.00		NIST
Inp	1069.00		NIST
Inp	1064.00		NIST
Inp	1053.00		NIST
Inp	1067.00		NIST
I	[1423.00; 1476.00]
I	Outlier 1423.00		NIST
I	1469.00		NIST
I	Outlier 1426.00		NIST
I	1462.00		NIST
I	1473.00		NIST
I	1463.00		NIST
I	1450.00		NIST
I	1465.00		NIST
I	1469.00		NIST
I	1469.00		NIST
I	1461.00		NIST
I	1465.00		NIST
I	1476.00		NIST
I	1445.00		NIST
I	1452.00		NIST
Tboil	529.23	K	Joback Calculated Property
Tc	727.62	K	Joback Calculated Property
Tfus	327.72	K	Joback Calculated Property
Vc	0.517	m3/kmol	Joback Calculated Property

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)-, (1«alpha»,2«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.