Chemical Properties of Thujan-3-ol

Thujan-3-ol

InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(9,11)6-9/h7-8,11H,4-6H2,1-3H3
InChI Key
IKXCCPWTSIENLL-UHFFFAOYSA-N
Formula
C10H18O
SMILES
CC1CCC2(C(C)C)CC12O
Molecular Weight1
154.25
Other Names
  • 3-Thujanol (neoisothujanol)
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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 [1119.00; 1177.00]   Show Hide
Inp 1166.00 NIST
Inp 1166.00 NIST
Inp 1167.00 NIST
Inp 1166.00 NIST
Inp 1145.00 NIST
Inp 1166.00 NIST
Inp 1177.00 NIST
Inp 1155.00 NIST
Inp 1161.00 NIST
Inp 1166.00 NIST
Inp 1157.00 NIST
Inp Outlier 1119.00 NIST
Inp Outlier 1120.00 NIST
Inp 1152.00 NIST
Inp 1166.00 NIST
I [1595.00; 1610.00]   Show Hide
I 1595.00 NIST
I 1610.00 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

trans-Africanan-1 .alpha.-ol. Bakerol. (-)-Silphiperfolan-7«beta»-ol. Silphiperfolan-7«beta»-ol. Bicyclo[2.2.1]heptan-2-ol, 2,7,7-trimethyl, endo. Dihydrocamphene carbinol. Bicyclo[2.2.1]heptan-2-ol, 2,3,3-trimethyl-. Exo-methylcamphenilol. 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a«alpha»,4«beta»,4a«beta»,7«alpha»,7a«beta»,7b«alpha»)]-. (+)-Prenopsan-8-ol. (3S,3aS,6R,7S,8aS)-3,7,8,8-Tetramethyloctahydro-1H-3a,6-methanoazulen-7-ol. epi-Cubebol. trans-Cubebol. (3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol. 1-epi-Cubebol.

Find more compounds similar to Thujan-3-ol.

Sources

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