Chemical Properties of Isobutylcarbamate, N-sec.-butyl

Isobutylcarbamate, N-sec.-butyl

InChI
InChI=1S/C13H27NO2/c1-7-11(5)14(12(6)8-2)13(15)16-9-10(3)4/h10-12H,7-9H2,1-6H3
InChI Key
XFSXTCIIMPNGHP-UHFFFAOYSA-N
Formula
C13H27NO2
SMILES
CCC(C)N(C(=O)OCC(C)C)C(C)CC
Molecular Weight1
229.36
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Physical Properties

Property Value Unit Source
ω 0.6198 Relay (1.0) Calculated Property
ΔfH°gas -626.05 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.25 kJ/mol Joback Calculated Property
ΔvapH° 71.48 kJ/mol Relay (1.0) Calculated Property
IE 8.10 eV Relay (1.0) Calculated Property
log10WS -3.24 Relay (1.0) Calculated Property
logPoct/wat 3.678 Crippen Calculated Property
McVol 211.450 ml/mol McGowan Calculated Property
Pc 1681.03 kPa Joback Calculated Property
Inp 1207.00 NIST
Tboil 521.45 K Relay (1.0) Calculated Property
Tc 693.14 K Relay (1.0) Calculated Property
Tfus 236.46 K Relay (1.0) Calculated Property
Vc 0.769 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [312.16; 737.76] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A7.43000e-01
Coefficient B1.32572e+00
Coefficient C-7.11000e-04
Coefficient D1.22300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 312.16 J/mol×K 273.00 Calculated Property
Cp,gas 386.18 J/mol×K 353.78 Calculated Property
Cp,gas 452.61 J/mol×K 434.56 Calculated Property
Cp,gas 511.85 J/mol×K 515.33 Calculated Property
Cp,gas 564.27 J/mol×K 596.11 Calculated Property
Cp,gas 610.27 J/mol×K 676.89 Calculated Property
Cp,gas 650.23 J/mol×K 757.67 Calculated Property
Cp,gas 684.55 J/mol×K 838.44 Calculated Property
Cp,gas 713.59 J/mol×K 919.22 Calculated Property
Cp,gas 737.76 J/mol×K 1000.00 Calculated Property

Similar Compounds

Isobutylcarbamate, N,N-dicyclohexyl. Isobutylcarbamate, N,N-dibutyl. Isobutylcarbamate, N,N-dipropyl. Isobutylcarbamate, N,N-diisopropyl. Isobutylcarbamate, N-pentyl. Isobutylcarbamate, N,N-dihexyl. Piperidine, N-isoBOC. Pyrrolidine, N-isoBOC. Isobutylcarbamate, N,Np-diisobutyl. Pipecolic acid, N-isobutoxycarbonyl-, isobutyl ester. 7-Azabicyclo[2.2.1]heptane-7-carboxylic acid, methyl ester. d-Proline, N-isobutoxycarbonyl-, ethyl ester. d-Proline, N-isobutoxycarbonyl-, propyl ester. d-Proline, n-propoxycarbonyl-, isobutyl ester. d-Proline, N-isobutoxycarbonyl-, isobutyl ester.

Find more compounds similar to Isobutylcarbamate, N-sec.-butyl.

Sources

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