Chemical Properties of Cyclohexanone, 3-methyl- (CAS 591-24-2)

Cyclohexanone, 3-methyl-

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InChI
InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
InChI Key
UJBOOUHRTQVGRU-UHFFFAOYSA-N
Formula
C7H12O
SMILES
CC1CCCC(=O)C1
Molecular Weight1
112.17
CAS
591-24-2
Other Names
  • 3-Methylcyclohexanone
  • Methyl-3 cyclohexanone-1
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Physical Properties

Property Value Unit Source
Δcliquid -4196.10 kJ/mol NIST
EA 0.01 ± 0.00 eV NIST
Δf -90.08 kJ/mol Joback Calculated Property
Δfgas -271.19 kJ/mol Joback Calculated Property
Δfus 5.23 kJ/mol Joback Calculated Property
Δvap 35.85 kJ/mol Joback Calculated Property
log10WS -1.69 Crippen Calculated Property
logPoct/wat 1.766 Crippen Calculated Property
McVol 100.200 ml/mol McGowan Calculated Property
Pc 3673.09 kPa Joback Calculated Property
Inp [915.00; 985.00]   Show Hide
Inp 937.00 NIST
Inp 939.00 NIST
Inp 931.00 NIST
Inp 934.00 NIST
Inp 961.00 NIST
Inp 943.00 NIST
Inp Outlier 985.00 NIST
Inp 945.00 NIST
Inp 945.00 NIST
Inp 915.00 NIST
Inp 924.00 NIST
Inp 931.00 NIST
Inp 945.00 NIST
Inp 946.00 NIST
Inp 922.00 NIST
Inp 922.00 NIST
Inp 928.00 NIST
Inp 931.00 NIST
I [1333.00; 1381.00]   Show Hide
I 1376.00 NIST
I 1376.00 NIST
I 1333.00 NIST
I 1333.00 NIST
I 1381.00 NIST
I 1381.00 NIST
Tboil [442.70; 442.70] K Show Hide
Tboil 442.70 K NIST
Tboil 442.70 ± 0.70 K NIST
Tc 670.65 K Joback Calculated Property
Tfus [184.00; 199.25] K Show Hide
Tfus 199.25 ± 0.50 K NIST
Tfus 184.00 ± 6.00 K NIST
Vc 0.367 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [204.07; 288.21] J/mol×K [446.93; 670.65] Show Hide
Cp,gas 204.07 J/mol×K 446.93 Joback Calculated Property
Cp,gas 219.79 J/mol×K 484.22 Joback Calculated Property
Cp,gas 234.85 J/mol×K 521.50 Joback Calculated Property
Cp,gas 249.23 J/mol×K 558.79 Joback Calculated Property
Cp,gas 262.92 J/mol×K 596.07 Joback Calculated Property
Cp,gas 275.92 J/mol×K 633.36 Joback Calculated Property
Cp,gas 288.21 J/mol×K 670.65 Joback Calculated Property
Cp,liquid 207.10 J/mol×K 290.00 NIST
ΔvapH 44.90 kJ/mol 387.50 NIST

Similar Compounds

Cyclohexanone, 3-methyl-, (S)-. Cyclohexanone, 3-methyl-, (R)-. Muscone. Cyclohexanone, 3-butyl-. Cyclohexanone, 3-ethyl-. Cyclohexanone, 3,5-dimethyl-, cis-. Cyclohexanone, 3,5-dimethyl-, cis-. trans-3,5-Dimethylcyclohexanone. 3-Heptanone, 5-methyl-. 3,4-Dimethyl cyclohexanone. 4-Nonanone, 2,6,8-trimethyl-. 2,12-Dimethyltridecan-4-one. Cyclohexanone, 3-(1-methylethyl). 2-Heptanone, 4-methyl-. Cycloheptanone, 4-methyl-, (R)-.

Find more compounds similar to Cyclohexanone, 3-methyl-.

Sources

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