Chemical Properties of 3-Ethylphenyl isocyanate (CAS 23138-58-1)

3-Ethylphenyl isocyanate

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InChI
InChI=1S/C9H9NO/c1-2-8-4-3-5-9(6-8)10-7-11/h3-6H,2H2,1H3
InChI Key
DNFZCDLEGMEKMI-UHFFFAOYSA-N
Formula
C9H9NO
SMILES
CCc1cccc(N=C=O)c1
Molecular Weight1
147.17
CAS
23138-58-1
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Physical Properties

Property Value Unit Source
Δfgas -9.44 kJ/mol Joback Calculated Property
Δvap 48.10 kJ/mol Joback Calculated Property
log10WS -6.76 Crippen Calculated Property
logPoct/wat 2.216 Crippen Calculated Property
McVol 121.160 ml/mol McGowan Calculated Property
Pc 3493.01 kPa Joback Calculated Property
Tboil 503.65 K Joback Calculated Property
Tc 722.29 K Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [362.87; 508.87] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.51367e+01
Coefficient B-4.24003e+03
Coefficient C-7.73230e+01
Temperature range, min.362.87
Temperature range, max.508.87
Pvap 1.33 kPa 362.87 Calculated Property
Pvap 2.96 kPa 379.09 Calculated Property
Pvap 6.07 kPa 395.31 Calculated Property
Pvap 11.59 kPa 411.54 Calculated Property
Pvap 20.85 kPa 427.76 Calculated Property
Pvap 35.61 kPa 443.98 Calculated Property
Pvap 58.13 kPa 460.20 Calculated Property
Pvap 91.17 kPa 476.43 Calculated Property
Pvap 138.06 kPa 492.65 Calculated Property
Pvap 202.65 kPa 508.87 Calculated Property

Similar Compounds

3-Ethylphenyl isothiocyanate. 4-Ethylphenyl isocyanate. Aniline, 3-ethyl-. Ethyl-m-phenylenediisocyanate. 1-Ethyl-3-nitrobenzene. 4-Ethylphenyl isothiocyanate. Aniline, m-phenethyl-. Benzene, 1-isocyanato-3-methyl-. 2-Ethyl-6-methylphenyl isothiocyanate. Benzenamine, 2-ethyl-. 2,6-Diethylphenyl isothiocyanate. Propanamide, N-(3-methylphenyl)-3-phenyl-. 3-Isocyanatoacetophenone. Benzeneethanol, 3-nitro-. 3-Aminophenylacetic acid nitrile.

Find more compounds similar to 3-Ethylphenyl isocyanate.

Sources

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