Chemical Properties of 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 22029-76-1)

3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

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InChI
InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+
InChI Key
CNOPDZWOYFOHGN-BQYQJAHWSA-N
Formula
C13H22O
SMILES
CC1=C(C=CC(C)O)C(C)(C)CCC1
Molecular Weight1
194.31
CAS
22029-76-1
Other Names
  • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
  • «beta» Ionol
  • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-ol
  • But-3-en-2-ol, 4-(2,6,6-trimethyl-1-cyclohexenyl)-

Physical Properties

Property Value Unit Source
Δf 29.20 kJ/mol Joback Calculated Property
Δfgas -247.54 kJ/mol Joback Calculated Property
Δfus 16.17 kJ/mol Joback Calculated Property
Δvap 61.68 kJ/mol Joback Calculated Property
log10WS -4.00 Crippen Calculated Property
logPoct/wat 3.450 Crippen Calculated Property
McVol 180.440 ml/mol McGowan Calculated Property
Pc 2361.07 kPa Joback Calculated Property
Inp [1405.00; 1428.00]   Show Hide
Inp 1406.00 NIST
Inp 1406.00 NIST
Inp 1428.00 NIST
Inp 1405.00 NIST
Inp 1407.00 NIST
Inp 1406.00 NIST
Inp 1405.00 NIST
Inp 1428.00 NIST
I [1939.00; 1968.00]   Show Hide
I 1968.00 NIST
I 1939.00 NIST
I 1968.00 NIST
Tboil 621.65 K Joback Calculated Property
Tc 822.51 K Joback Calculated Property
Tfus 334.09 K Joback Calculated Property
Vc 0.673 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [478.42; 565.75] J/mol×K [621.65; 822.51] Show Hide
Cp,gas 478.42 J/mol×K 621.65 Joback Calculated Property
Cp,gas 494.64 J/mol×K 655.13 Joback Calculated Property
Cp,gas 510.05 J/mol×K 688.60 Joback Calculated Property
Cp,gas 524.77 J/mol×K 722.08 Joback Calculated Property
Cp,gas 538.89 J/mol×K 755.56 Joback Calculated Property
Cp,gas 552.51 J/mol×K 789.03 Joback Calculated Property
Cp,gas 565.75 J/mol×K 822.51 Joback Calculated Property

Similar Compounds

3-Oxo-«beta»-ionol. 4-oxo-«beta»-ionol. cis-3-Oxo-«alpha»-ionol. 4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol. «beta»-Ionyl acetate. 3-hydroxy-«beta»-ionol. trans-«beta»-Ionone. 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Retinol. 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-. 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. «beta» Carotene. 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-. Allyl ionone.

Find more compounds similar to 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-.

Sources

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