Chemical Properties of 2,4,4-trimethylcyclohexanone (CAS 2230-70-8)

2,4,4-trimethylcyclohexanone

InChI
InChI=1S/C9H16O/c1-7-6-9(2,3)5-4-8(7)10/h7H,4-6H2,1-3H3
InChI Key
JEANOXXXGPLTOI-UHFFFAOYSA-N
Formula
C9H16O
SMILES
CC1CC(C)(C)CCC1=O
Molecular Weight1
140.22
CAS
2230-70-8
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Physical Properties

Property Value Unit Source
ΔfusH° 5.18 kJ/mol Joback Calculated Property
IE 9.18 eV Relay (1.0) Calculated Property
logPoct/wat 2.402 Crippen Calculated Property
McVol 128.380 ml/mol McGowan Calculated Property
Tboil 464.00 ± 3.00 K NIST
Tfus 300.96 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [292.44; 389.26] J/mol×K [488.26; 714.57] Show Hide
Cp,gas 292.44 J/mol×K 488.26 Joback Calculated Property
Cp,gas 310.90 J/mol×K 525.98 Joback Calculated Property
Cp,gas 328.31 J/mol×K 563.70 Joback Calculated Property
Cp,gas 344.77 J/mol×K 601.42 Joback Calculated Property
Cp,gas 360.36 J/mol×K 639.14 Joback Calculated Property
Cp,gas 375.16 J/mol×K 676.85 Joback Calculated Property
Cp,gas 389.26 J/mol×K 714.57 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [343.92; 493.74] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.44908e+01
Coefficient B-3.88792e+03
Coefficient C-7.01840e+01
Temperature range, min.343.92
Temperature range, max.493.74
Pvap 1.33 kPa 343.92 Calculated Property
Pvap 3.01 kPa 360.57 Calculated Property
Pvap 6.22 kPa 377.21 Calculated Property
Pvap 11.93 kPa 393.86 Calculated Property
Pvap 21.47 kPa 410.51 Calculated Property
Pvap 36.57 kPa 427.15 Calculated Property
Pvap 59.42 kPa 443.80 Calculated Property
Pvap 92.61 kPa 460.45 Calculated Property
Pvap 139.21 kPa 477.09 Calculated Property
Pvap 202.66 kPa 493.74 Calculated Property

Similar Compounds

Cyclohexanone, 2,2,6-trimethyl-. trans-2-Ethyl-4-tert-butylcyclohexanone. Cyclohexanone, 4-(1,1-dimethylethyl)-2-ethyl-, cis-. Cyclohexanone, 2-methyl-, (.+/-.)-. Cyclohexanone, 2-methyl-. 2,4,4-Trimethylcyclopentanone. propyl-(1-adamantyl) ketone. Cyclooctanone, 2-methyl-. Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 2. Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 1. Cyclohexanone, 4-(1,1-dimethylethyl)-2-(1-methylethyl)-, cis-. trans-2-Isopropyl-4-t-butylcyclohexanone. 4-Methyl-5-nonanone. 2,5-DIMETHYLCYCLOHEXANONE. SPIRO[4.5]DECAN-7-ONE, 1,8-DIMETHYL-4-(1-METHYLETHYL)-.

Find more compounds similar to 2,4,4-trimethylcyclohexanone.

Sources

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