Chemical Properties of 2-tert-Butylcyclohexanone (CAS 1728-46-7)

2-tert-Butylcyclohexanone

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InChI
InChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3
InChI Key
ZRYDPLOWJSFQAE-UHFFFAOYSA-N
Formula
C10H18O
SMILES
CC(C)(C)C1CCCCC1=O
Molecular Weight1
154.25
CAS
1728-46-7
Other Names
  • 2-t-Butylcyclohexanone
  • Cyclohexanone, 2-(1,1-dimethylethyl)-
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Physical Properties

Property Value Unit Source
ω 0.3505 Relay (... Calculated Property
ΔfG° -61.98 kJ/mol Joback Calculated Property
ΔfH°gas -317.68 kJ/mol Relay (... Calculated Property
ΔfusH° 5.59 kJ/mol Joback Calculated Property
ΔvapH° 53.90 kJ/mol Relay (... Calculated Property
IE 9.09 eV Relay (... Calculated Property
log10WS -2.32 Relay (... Calculated Property
logPoct/wat 2.792 Crippen Calculated Property
McVol 142.470 ml/mol McGowan Calculated Property
Pc 2715.50 kPa Joback Calculated Property
Tboil 489.95 K Relay (... Calculated Property
Tc 709.09 K Relay (... Calculated Property
Tfus 334.13 K Relay (... Calculated Property
Vc 0.472 m3/kmol Relay (... Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [341.04; 446.18] J/mol×K [512.34; 740.09] Show Hide
Cp,gas 341.04 J/mol×K 512.34 Joback Calculated Property
Cp,gas 361.38 J/mol×K 550.30 Joback Calculated Property
Cp,gas 380.56 J/mol×K 588.26 Joback Calculated Property
Cp,gas 398.61 J/mol×K 626.21 Joback Calculated Property
Cp,gas 415.55 J/mol×K 664.17 Joback Calculated Property
Cp,gas 431.39 J/mol×K 702.13 Joback Calculated Property
Cp,gas 446.18 J/mol×K 740.09 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [357.78; 524.64] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.38300e+01
Coefficient B-3.83144e+03
Coefficient C-7.48620e+01
Temperature range, min.357.78
Temperature range, max.524.64
Pvap 1.33 kPa 357.78 Calculated Property
Pvap 3.07 kPa 376.32 Calculated Property
Pvap 6.40 kPa 394.86 Calculated Property
Pvap 12.33 kPa 413.40 Calculated Property
Pvap 22.20 kPa 431.94 Calculated Property
Pvap 37.70 kPa 450.48 Calculated Property
Pvap 60.91 kPa 469.02 Calculated Property
Pvap 94.27 kPa 487.56 Calculated Property
Pvap 140.51 kPa 506.10 Calculated Property
Pvap 202.66 kPa 524.64 Calculated Property

Similar Compounds

trans-2,4-Di-t-butylcyclohexanone. Cyclohexanone, 2,4-bis(1,1-dimethylethyl)-, cis-. Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 1. Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 2. Cyclohexanone, 4-(1,1-dimethylethyl)-2-(1-methylethyl)-, cis-. trans-2-Isopropyl-4-t-butylcyclohexanone. 4a«beta»-Methyl-3,4,4a,5,6,7,8a«alpha»-hexahydronaphthalene-1(2H),7(8H)-dione. Friedelan-3-one. trans-2-Ethyl-4-tert-butylcyclohexanone. Cyclohexanone, 4-(1,1-dimethylethyl)-2-ethyl-, cis-. 15-nor-3-Gymnomitrone. Bicyclo[2.2.1]heptan-2-one, 7,7-dimethyl-. Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, (1R)-. Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, (1S)-. Cholestan-6-one, (5«alpha»)-.

Find more compounds similar to 2-tert-Butylcyclohexanone.

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