Chemical Properties of 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 4951-40-0)

2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

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InChI
InChI=1S/C12H18O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,9H,4,6,8H2,1-3H3/b7-5+
InChI Key
FLOPAOUVAMIAJN-FNORWQNLSA-N
Formula
C12H18O
SMILES
CC1=C(C=CC=O)C(C)(C)CCC1
Molecular Weight1
178.27
CAS
4951-40-0
Other Names
  • 3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-propenal
  • 2-Propenal, 3-(2,6,6-trimethylcyclohexen-1-yl)
  • 3-(2,6,6-Trimethylcyclohexen-1-yl)-prop-2-enal
  • 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)acrylaldehyde

Physical Properties

Property Value Unit Source
Δf 60.52 kJ/mol Joback Calculated Property
Δfgas -154.97 kJ/mol Joback Calculated Property
Δfus 15.31 kJ/mol Joback Calculated Property
Δvap 49.88 kJ/mol Joback Calculated Property
log10WS -3.49 Crippen Calculated Property
logPoct/wat 3.268 Crippen Calculated Property
McVol 162.050 ml/mol McGowan Calculated Property
Pc 2530.27 kPa Joback Calculated Property
Inp [1329.00; 1336.00]   Show Hide
Inp 1329.00 NIST
Inp 1336.00 NIST
Inp 1329.00 NIST
Inp 1330.00 NIST
Inp 1336.00 NIST
I [1920.00; 1952.00]   Show Hide
I 1920.00 NIST
I 1952.00 NIST
I 1952.00 NIST
Tboil 555.69 K Joback Calculated Property
Tc 773.51 K Joback Calculated Property
Tfus 319.00 K Joback Calculated Property
Vc 0.622 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [388.59; 476.92] J/mol×K [555.69; 773.51] Show Hide
Cp,gas 388.59 J/mol×K 555.69 Joback Calculated Property
Cp,gas 405.48 J/mol×K 591.99 Joback Calculated Property
Cp,gas 421.34 J/mol×K 628.30 Joback Calculated Property
Cp,gas 436.28 J/mol×K 664.60 Joback Calculated Property
Cp,gas 450.45 J/mol×K 700.90 Joback Calculated Property
Cp,gas 463.95 J/mol×K 737.21 Joback Calculated Property
Cp,gas 476.92 J/mol×K 773.51 Joback Calculated Property

Similar Compounds

trans-«beta»-Ionone. 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Cyclohexene, 2-ethenyl-1,3,3-trimethyl-. B-Ionene. 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-. Allyl ionone. Retinal. Retinal, 9-cis-. «beta» Carotene. 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-methyl-1-buten-3-one. «alpha»-Isoamylionone. Selina 2,4-diene. «delta»-Selinene. «delta»-Selinene.

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

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