Chemical Properties of (1S,2S,3R,5S)-(+)-Pinanediol (CAS 18680-27-8)

(1S,2S,3R,5S)-(+)-Pinanediol

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InChI
InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3
InChI Key
MOILFCKRQFQVFS-UHFFFAOYSA-N
Formula
C10H18O2
SMILES
CC1(C)C2CC(O)C(C)(O)C1C2
Molecular Weight1
170.25
CAS
18680-27-8
Other Names
  • 2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol-, [1S-(1«alpha»,2«alpha»,3«alpha»,5«alpha»)]-
  • (+)-Pinanediol
  • cis-2,3-Pinanediol
  • Bicyclo[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-, (1S,2S,3R,5S)-
  • (1S,2S,3R,5S)-(+)-2,3-Pinanediol
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Physical Properties

Property Value Unit Source
Δf -165.03 kJ/mol Joback Calculated Property
Δfgas -445.29 kJ/mol Joback Calculated Property
Δfus 14.62 kJ/mol Joback Calculated Property
Δvap 67.98 kJ/mol Joback Calculated Property
log10WS -1.82 Crippen Calculated Property
logPoct/wat 1.164 Crippen Calculated Property
McVol 141.780 ml/mol McGowan Calculated Property
Pc 3388.08 kPa Joback Calculated Property
Inp [1313.00; 1319.00]   Show Hide
Inp 1313.00 NIST
Inp 1319.00 NIST
I 2197.00 NIST
Tboil 616.78 K Joback Calculated Property
Tc 805.96 K Joback Calculated Property
Tfus 391.54 K Joback Calculated Property
Vc 0.532 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [414.70; 487.59] J/mol×K [616.78; 805.96] Show Hide
Cp,gas 414.70 J/mol×K 616.78 Joback Calculated Property
Cp,gas 427.85 J/mol×K 648.31 Joback Calculated Property
Cp,gas 440.40 J/mol×K 679.84 Joback Calculated Property
Cp,gas 452.49 J/mol×K 711.37 Joback Calculated Property
Cp,gas 464.29 J/mol×K 742.90 Joback Calculated Property
Cp,gas 475.94 J/mol×K 774.43 Joback Calculated Property
Cp,gas 487.59 J/mol×K 805.96 Joback Calculated Property

Similar Compounds

Bicyclo(3.1.1)heptane-2,3-diol, 2,6,6-trimethyl-. Cedrane diol. carane-3,4-diol. Pregnane-3,17,20-triol, (3«alpha»,5«beta»,20S)-. 5-«alpha»-Pregnane-3-«beta»,17-«alpha»,20-«alpha»-triol. 5-«alpha»-Pregnane-3-«beta»,17-«alpha»,20-«beta»-triol. 4-Hydroxyneomenthol. 4-Hydroxymenthol. 1,2-Cyclohexanediol, 4-methyl-1-(1-methylethyl)-, (1«alpha»,2«alpha»,4«alpha»)-. 5-«alpha»-Pregnane-17-«alpha»,20-«alpha»-diol. 5-«alpha»-Pregnane-17-«alpha»,20-«beta»-diol. 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethyl)-. 5-«alpha»-Pregnane-17-«alpha»,20-«beta»,21-triol. Menthane, 1,2,4-trihydroxy. Cortol.

Find more compounds similar to (1S,2S,3R,5S)-(+)-Pinanediol.

Sources

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