Chemical Properties of neo-Thujan-3-ol (CAS 21653-18-9)

neo-Thujan-3-ol

PDF Excel Molecule Calculator
InChI
InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9-,10+/m1/s1
InChI Key
DZVXRFMREAADPP-KYXWUPHJSA-N
Formula
C10H18O
SMILES
CC1C(O)CC2(C(C)C)CC12
Molecular Weight1
154.25
CAS
21653-18-9
Other Names
  • neo-3-thujanol
  • Neothujol
  • 3-neo-Thujanol
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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 [1130.00; 1151.00]   Show Hide
Inp 1149.00 NIST
Inp 1149.00 NIST
Inp 1151.00 NIST
Inp 1148.00 NIST
Inp 1130.00 NIST
Inp 1134.00 NIST
Inp 1138.00 NIST
Inp 1134.00 NIST
Inp 1149.00 NIST
I [1573.00; 1620.00]   Show Hide
I 1573.00 NIST
I 1620.00 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. Thujol. Iso-3-Thujol. Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-. neo-iso-Thujanol. iso-3-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 neo-Thujan-3-ol.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.