Chemical Properties of 2,4,4-Trimethyl-3-carboxaldehyde-5-hydroxy-2,5-cyclohexadiene-1-one

2,4,4-Trimethyl-3-carboxaldehyde-5-hydroxy-2,5-cyclohexadiene-1-one

PDF Excel Molecule Calculator
InChI
InChI=1S/C10H12O3/c1-6-7(5-11)10(2,3)9(13)4-8(6)12/h4-5,13H,1-3H3
InChI Key
YZSYPUKZYXIWGT-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
CC1=C(C=O)C(C)(C)C(O)=CC1=O
Molecular Weight1
180.20
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Physical Properties

Property Value Unit Source
Δf -275.62 kJ/mol Joback Calculated Property
Δfgas -474.53 kJ/mol Joback Calculated Property
Δfus 14.36 kJ/mol Joback Calculated Property
Δvap 67.35 kJ/mol Joback Calculated Property
log10WS -1.75 Crippen Calculated Property
logPoct/wat 1.553 Crippen Calculated Property
McVol 141.310 ml/mol McGowan Calculated Property
Pc 3460.21 kPa Joback Calculated Property
Inp [1329.00; 1329.00]   Show Hide
Inp 1329.00 NIST
Inp 1329.00 NIST
Tboil 669.91 K Joback Calculated Property
Tc 884.92 K Joback Calculated Property
Tfus 443.86 K Joback Calculated Property
Vc 0.541 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [369.61; 433.00] J/mol×K [669.91; 884.92] Show Hide
Cp,gas 369.61 J/mol×K 669.91 Joback Calculated Property
Cp,gas 381.04 J/mol×K 705.75 Joback Calculated Property
Cp,gas 392.04 J/mol×K 741.58 Joback Calculated Property
Cp,gas 402.67 J/mol×K 777.42 Joback Calculated Property
Cp,gas 412.99 J/mol×K 813.25 Joback Calculated Property
Cp,gas 423.08 J/mol×K 849.09 Joback Calculated Property
Cp,gas 433.00 J/mol×K 884.92 Joback Calculated Property

Similar Compounds

4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-dienecarbaldehyde. 3-Hydroxyestra-2,5(10)-diene-1,4,17-trione. Bufotalin. dehydropanamine-type. GA3-13-O-glucoside, permethylated. trimethylsilyl 1-trimethylsilyl-5-trimethylsiloxy-3-(2-trimethylsilylamino)indolepropionate. 3-epi-GA1-13-O-glucoside, permethylated. 3-epiGA1-13-O-«beta»-D-glucopyranoside, permethyl. GA1, 13-O-glucoside, permethylated. GA8-13-O-glucoside, permethylated. GA1-13-O-«beta»-D-glucopyranoside, permethyl. 3'-Hydroxystanozolol, per-TMS. cis-Isohumulone, TMS. GA3-3«beta»-O-glucoside, permethylated. GA7-3«beta»-O-glucoside, permethylated.

Find more compounds similar to 2,4,4-Trimethyl-3-carboxaldehyde-5-hydroxy-2,5-cyclohexadiene-1-one.

Sources

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