Chemical Properties of Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1«alpha»,2«alpha»,5«alpha»)- (CAS 17699-16-0)

Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1«alpha»,2«alpha»,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
InChI Key
KXSDPILWMGFJMM-UHFFFAOYSA-N
Formula
C10H18O
SMILES
CC(C)C12CCC(C)(O)C1C2
Molecular Weight1
154.25
CAS
17699-16-0
Other Names
  • (1R,2R,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol
  • trans-Sabinene hydrate (trans for Me vs IP)
  • trans-Sabinene hydrate
  • trans-Sabinene hydroxide
  • Sabinene hydrate, trans
  • 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol, (1«alpha»,2«alpha»,5«alpha»)-
  • (1«alpha»,2«alpha»,5«alpha»)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
  • trans-4-Thujanol
  • cis-Sabinene hydrate (cis for OH vs IP)
  • cis-Sabinene hydrate
  • trans-Sabinenhydrate
  • Sabinene hydrate-cis
  • cis-Sabinene hydroxide
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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 [1033.00; 1118.00]   Show Hide
Inp 1093.92 NIST
Inp 1094.10 NIST
Inp 1101.86 NIST
Inp 1102.39 NIST
Inp 1064.92 NIST
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Inp 1106.04 NIST
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Inp 1059.00 NIST
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Inp Outlier 1116.00 NIST
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Inp 1070.00 NIST
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Inp 1064.00 NIST
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Inp 1096.00 NIST
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Inp 1083.00 NIST
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Inp 1050.00 NIST
Inp Outlier 1116.00 NIST
Inp 1070.00 NIST
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Inp 1070.00 NIST
Inp 1064.00 NIST
Inp 1058.00 NIST
Inp 1088.00 NIST
Inp 1067.00 NIST
Inp 1070.00 NIST
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Inp 1096.00 NIST
Inp 1070.00 NIST
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Inp 1067.00 NIST
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Inp 1064.00 NIST
Inp 1068.00 NIST
Inp 1100.00 NIST
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Inp 1101.00 NIST
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Inp 1045.00 NIST
Inp 1074.00 NIST
Inp Outlier 1116.00 NIST
Inp 1070.00 NIST
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Inp 1082.44 NIST
Inp 1051.37 NIST
Inp 1069.00 NIST
Inp 1068.00 NIST
Inp 1097.00 NIST
Inp 1053.00 NIST
Inp 1064.00 NIST
Inp 1095.00 NIST
Inp Outlier 1118.00 NIST
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Inp 1097.00 NIST
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Inp 1093.00 NIST
Inp 1093.00 NIST
Inp Outlier 1112.00 NIST
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Inp 1074.00 NIST
Inp 1044.00 NIST
Inp 1070.00 NIST
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Inp 1047.00 NIST
Inp 1077.00 NIST
Inp 1056.00 NIST
Inp 1066.00 NIST
Inp 1053.00 NIST
Inp 1068.00 NIST
Inp Outlier 1033.00 NIST
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Inp 1070.00 NIST
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Inp 1070.00 NIST
Inp 1097.00 NIST
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Inp 1068.00 NIST
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Inp 1099.00 NIST
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Inp Outlier 1036.00 NIST
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Inp Outlier 1111.00 NIST
Inp Outlier 1033.00 NIST
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Inp Outlier 1036.00 NIST
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Inp 1096.00 NIST
Inp Outlier 1118.00 NIST
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Inp 1092.00 NIST
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Inp Outlier 1110.00 NIST
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Inp Outlier 1110.00 NIST
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Inp 1068.00 NIST
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Inp 1096.00 NIST
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Inp 1060.00 NIST
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Inp 1070.00 NIST
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Inp Outlier 1110.00 NIST
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Inp 1062.00 NIST
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Inp 1059.00 NIST
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Inp 1059.00 NIST
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Inp 1069.00 NIST
Inp 1097.00 NIST
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Inp 1095.00 NIST
Inp 1072.00 NIST
Inp 1066.00 NIST
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Inp 1076.00 NIST
Inp 1073.00 NIST
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Inp 1066.00 NIST
Inp Outlier 1037.00 NIST
Inp 1080.00 NIST
Inp 1050.00 NIST
Inp 1102.00 NIST
Inp 1054.00 NIST
Inp 1085.00 NIST
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Inp 1088.00 NIST
Inp 1054.00 NIST
Inp 1054.00 NIST
Inp 1060.00 NIST
Inp 1057.00 NIST
Inp 1058.00 NIST
Inp 1059.00 NIST
Inp 1059.00 NIST
Inp 1093.00 NIST
Inp 1066.00 NIST
Inp 1089.00 NIST
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Inp 1053.00 NIST
Inp 1088.00 NIST
Inp 1069.00 NIST
Inp 1059.00 NIST
Inp 1060.00 NIST
Inp 1053.00 NIST
Inp 1096.00 NIST
Inp 1080.00 NIST
Inp 1088.00 NIST
Inp 1101.00 NIST
Inp 1053.00 NIST
Inp 1060.00 NIST
Inp 1071.00 NIST
Inp 1086.00 NIST
Inp 1054.00 NIST
Inp 1089.00 NIST
Inp 1056.00 NIST
Inp 1098.00 NIST
Inp 1075.00 NIST
Inp 1108.00 NIST
Inp 1089.00 NIST
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Inp 1063.00 NIST
Inp 1101.00 NIST
Inp 1066.00 NIST
Inp Outlier 1037.00 NIST
Inp 1066.00 NIST
Inp Outlier 1037.00 NIST
Inp 1073.00 NIST
Inp 1075.00 NIST
Inp 1068.00 NIST
Inp 1097.00 NIST
Inp 1069.00 NIST
Inp 1065.00 NIST
Inp 1069.00 NIST
Inp 1066.00 NIST
Inp Outlier 1037.00 NIST
Inp 1098.00 NIST
Inp 1066.00 NIST
Inp 1097.00 NIST
Inp 1083.00 NIST
Inp 1058.00 NIST
Inp Outlier 1037.00 NIST
Inp 1058.00 NIST
Inp 1070.00 NIST
Inp 1098.00 NIST
Inp Outlier 1116.00 NIST
Inp 1070.00 NIST
Inp 1071.00 NIST
Inp 1070.00 NIST
Inp 1098.00 NIST
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Inp 1068.00 NIST
Inp 1097.00 NIST
Inp Outlier 1037.00 NIST
Inp 1066.00 NIST
Inp Outlier 1037.00 NIST
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Inp 1067.00 NIST
Inp 1097.00 NIST
Inp 1068.00 NIST
Inp 1070.00 NIST
Inp 1098.00 NIST
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Inp 1055.00 NIST
Inp 1080.00 NIST
Inp 1068.00 NIST
Inp 1097.00 NIST
Inp 1070.00 NIST
Inp 1066.00 NIST
Inp Outlier 1037.00 NIST
Inp 1068.00 NIST
Inp 1096.00 NIST
Inp 1068.00 NIST
Inp 1070.00 NIST
Inp 1070.00 NIST
Inp 1098.00 NIST
Inp 1098.00 NIST
Inp 1070.00 NIST
Inp Outlier 1037.00 NIST
Inp 1090.00 NIST
Inp 1052.00 NIST
Inp 1068.00 NIST
Inp 1096.00 NIST
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Inp 1097.00 NIST
Inp 1068.00 NIST
Inp 1071.00 NIST
Inp 1073.00 NIST
Inp 1062.00 NIST
Inp 1066.00 NIST
Inp Outlier 1037.00 NIST
Inp 1066.00 NIST
Inp Outlier 1037.00 NIST
Inp 1047.00 NIST
Inp 1049.00 NIST
Inp 1060.00 NIST
Inp 1082.00 NIST
Inp 1057.00 NIST
Inp 1066.00 NIST
Inp Outlier 1037.00 NIST
Inp 1109.00 NIST
Inp 1068.00 NIST
Inp 1060.00 NIST
Inp 1089.00 NIST
Inp 1059.00 NIST
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Inp 1097.00 NIST
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Inp 1063.00 NIST
Inp Outlier 1037.00 NIST
Inp 1069.00 NIST
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Inp 1066.00 NIST
Inp 1080.00 NIST
Inp 1049.00 NIST
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Inp 1106.00 NIST
Inp 1093.00 NIST
Inp 1072.00 NIST
Inp 1065.00 NIST
Inp 1082.00 NIST
Inp Outlier 1033.00 NIST
Inp 1058.00 NIST
Inp Outlier 1110.00 NIST
Inp 1085.00 NIST
Inp 1086.00 NIST
Inp 1101.00 NIST
Inp 1089.00 NIST
Inp 1088.00 NIST
Inp 1056.00 NIST
Inp 1106.60 NIST
Ip [1434.00; 1489.00]   Show Hide
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Ip Outlier 1488.00 NIST
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Ip Outlier 1440.00 NIST
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Ip 1474.00 NIST
Ip 1462.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [177.33; 535.24] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.97120e+02
Coefficient B1.85286e+00
Coefficient C-2.00400e-03
Coefficient D8.83500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 177.33 J/mol×K 273.00 Calculated Property
Cp,gas 246.68 J/mol×K 353.78 Calculated Property
Cp,gas 302.12 J/mol×K 434.56 Calculated Property
Cp,gas 346.43 J/mol×K 515.33 Calculated Property
Cp,gas 382.42 J/mol×K 596.11 Calculated Property
Cp,gas 412.88 J/mol×K 676.89 Calculated Property
Cp,gas 440.59 J/mol×K 757.67 Calculated Property
Cp,gas 468.36 J/mol×K 838.44 Calculated Property
Cp,gas 498.98 J/mol×K 919.22 Calculated Property
Cp,gas 535.24 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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