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)

Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1«alpha»,2«beta»,5«alpha»)-

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
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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 [1050.00; 1099.00]   Show Hide
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 1081.00 NIST
Inp 1061.00 NIST
Inp 1070.00 NIST
Inp 1052.00 NIST
Inp Outlier 1097.00 NIST
Inp 1091.00 NIST
Inp 1072.00 NIST
Inp 1068.00 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]   Show Hide
I 1423.00 NIST
I 1469.00 NIST
I 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
I 1423.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [353.14; 430.42] J/mol×K [529.23; 727.62] Show Hide
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

trans-4-Thujanol. sabinene hydrate isomer. Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-. trans-Sabinenehydrate. Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1«alpha»,2«alpha»,5«alpha»)-. (3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol. trans-Cubebol. (3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol. 1-epi-Cubebol. 4-epi-Cubebol. epi-Cubebol. Thujopsan-2-«alpha»-ol. Thujopsan-2«beta»-ol. Thujopsan-2-«alpha»-ol. trans-Africanan-1 .alpha.-ol.

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

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.