Chemical Properties of Cyclohexane, isocyanato- (CAS 3173-53-3)

Cyclohexane, isocyanato-

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InChI
InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChI Key
KQWGXHWJMSMDJJ-UHFFFAOYSA-N
Formula
C7H11NO
SMILES
O=C=NC1CCCCC1
Molecular Weight1
125.17
CAS
3173-53-3
Other Names
  • Cyclohexyl ester of isocyanic acid
  • Cyclohexyl isocyanate
  • Cyclohexylisocyanate
  • ISOCYANATOCYCLOHEXANE
  • Isocyanic acid, cyclohexyl ester
  • NSC 87419
  • UN 2488
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Physical Properties

Property Value Unit Source
Δfgas -138.90 kJ/mol Joback Calculated Property
Δvap 41.14 kJ/mol Joback Calculated Property
log10WS -6.26 Crippen Calculated Property
logPoct/wat 1.655 Crippen Calculated Property
McVol 105.880 ml/mol McGowan Calculated Property
Pc 3853.09 kPa Joback Calculated Property
Inp 1216.00 NIST
Tboil 445.78 K Joback Calculated Property
Tc 661.40 K Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [330.70; 556.85] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.14239e+01
Coefficient B-3.06420e+03
Coefficient C-5.55420e+01
Temperature range, min.330.70
Temperature range, max.556.85
Pvap 1.33 kPa 330.70 Calculated Property
Pvap 3.39 kPa 355.83 Calculated Property
Pvap 7.45 kPa 380.96 Calculated Property
Pvap 14.62 kPa 406.08 Calculated Property
Pvap 26.24 kPa 431.21 Calculated Property
Pvap 43.76 kPa 456.34 Calculated Property
Pvap 68.69 kPa 481.47 Calculated Property
Pvap 102.56 kPa 506.59 Calculated Property
Pvap 146.78 kPa 531.72 Calculated Property
Pvap 202.65 kPa 556.85 Calculated Property
Pvap [3.79e-07; 3383.73] kPa [193.00; 633.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.62857e+01
Coefficient B-9.28830e+03
Coefficient C-1.00888e+01
Coefficient D3.97323e-06
Temperature range, min.193.00
Temperature range, max.633.00
Pvap 3.79e-07 kPa 193.00 Calculated Property
Pvap 7.08e-04 kPa 241.89 Calculated Property
Pvap 0.08 kPa 290.78 Calculated Property
Pvap 1.82 kPa 339.67 Calculated Property
Pvap 16.90 kPa 388.56 Calculated Property
Pvap 86.78 kPa 437.44 Calculated Property
Pvap 301.40 kPa 486.33 Calculated Property
Pvap 800.34 kPa 535.22 Calculated Property
Pvap 1760.07 kPa 584.11 Calculated Property
Pvap 3383.73 kPa 633.00 Calculated Property

Similar Compounds

Cyclohexane, isothiocyanato-. Cyclododecyl isothiocyanate. Dicyclohexylcarbodiimide. 3-Heptyl isothiocyanate. Cyclopentyl isothiocyanate. 2-Heptane isothiocyanate. 2-Hexane isothiocyanate. Isocyanocyclobexanemolybdenum pentacarbonyl. 2-Octane isothiocyanate. Hexane, 1,6-diisocyanato-. Formamidine, 1-cyclohexyl-3,3-dimethyl. (CH3)2N-CH=N-(c-hexyl). Decamethylene diisocyanate. 2-Pentane isothiocyanate. Hexane, 1-isocyanato-.

Find more compounds similar to Cyclohexane, isocyanato-.

Sources

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