Chemical Properties of iso-3-Thujanol (CAS 7712-79-0)

iso-3-Thujanol

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InChI
InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3
InChI Key
DZVXRFMREAADPP-UHFFFAOYSA-N
Formula
C10H18O
SMILES
CC1C(O)CC2(C(C)C)CC12
Molecular Weight1
154.25
CAS
7712-79-0
Other Names
  • iso-Thujan-3-ol
  • iso-Thujanol
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Physical Properties

Property Value Unit Source
Δf -5.35 kJ/mol Joback Calculated Property
Δfgas -287.08 kJ/mol Joback Calculated Property
Δfus 14.34 kJ/mol Joback Calculated Property
Δvap 52.20 kJ/mol Joback Calculated Property
log10WS -2.21 Crippen Calculated Property
logPoct/wat 2.049 Crippen Calculated Property
McVol 135.910 ml/mol McGowan Calculated Property
Pc 2956.90 kPa Joback Calculated Property
Inp [1110.00; 1142.00]   Show Hide
Inp 1133.00 NIST
Inp 1135.00 NIST
Inp 1138.30 NIST
Inp 1130.00 NIST
Inp 1137.00 NIST
Inp 1142.00 NIST
Inp 1138.00 NIST
Inp 1133.00 NIST
Inp Outlier 1110.00 NIST
Inp 1138.00 NIST
I [1610.00; 1666.00]   Show Hide
I 1610.00 NIST
I 1635.00 NIST
I 1666.00 NIST
I 1610.00 NIST
Tboil 524.32 K Joback Calculated Property
Tc 714.97 K Joback Calculated Property
Tfus 299.58 K Joback Calculated Property
Vc 0.518 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [354.41; 435.75] J/mol×K [524.32; 714.97] Show Hide
Cp,gas 354.41 J/mol×K 524.32 Joback Calculated Property
Cp,gas 370.07 J/mol×K 556.10 Joback Calculated Property
Cp,gas 384.74 J/mol×K 587.87 Joback Calculated Property
Cp,gas 398.54 J/mol×K 619.65 Joback Calculated Property
Cp,gas 411.57 J/mol×K 651.42 Joback Calculated Property
Cp,gas 423.94 J/mol×K 683.20 Joback Calculated Property
Cp,gas 435.75 J/mol×K 714.97 Joback Calculated Property

Similar Compounds

[1S-(1«alpha»,3«alpha»,4«alpha»,5«alpha»)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-ol. neo-Thujan-3-ol. Thujol. Iso-3-Thujol. Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-. neo-iso-Thujanol. Neo iso-3-Thujol. cis-Thujanol. neo-Isothujan-3-ol. Neo-3-Thujol. Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1«alpha»,3«beta»,4«beta»,5«alpha»)-. Cubebol I. Cubebol II. trans-Sabinol. Bicyclo[4.1.0]heptan-3-ol, 4,7,7-trimethyl-, (1«alpha»,3«beta»,4«alpha»,6«alpha»)-.

Find more compounds similar to iso-3-Thujanol.

Sources

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