Chemical Properties of Benzene, (isothiocyanatomethyl)- (CAS 622-78-6)

Benzene, (isothiocyanatomethyl)-

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InChI Key
Molecular Weight1
Other Names
  • AB 2
  • Benzyl Isothiocyanate
  • Benzyl mustard oil
  • Benzylsenfoel
  • Isothiocyanic acid, benzyl ester
  • NSC 118976
  • Toluene, «alpha»-isothiocyanato-
  • Toluene, «alpha»-isothiocyanato-
  • Tromacaps
  • Tromalyt
  • Urogran
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Physical Properties

Property Value Unit Source
Δfgas 312.15 kJ/mol Joback Calculated Property
Δvap 46.12 kJ/mol Joback Calculated Property
log10WS -2.70 Crippen Calculated Property
logPoct/wat 2.289 Crippen Calculated Property
McVol 117.550 ml/mol McGowan Calculated Property
Pc 3749.97 kPa Joback Calculated Property
Inp [1317.00; 1391.00]   Show Hide
Inp 1317.00 NIST
Inp 1359.00 NIST
Inp 1318.00 NIST
Inp 1317.00 NIST
Inp 1377.90 NIST
Inp 1354.00 NIST
Inp 1391.00 NIST
Inp 1335.00 NIST
Inp 1318.00 NIST
Inp 1334.00 NIST
Inp 1353.00 NIST
Inp 1389.00 NIST
Inp 1317.00 NIST
Inp 1361.00 NIST
Inp 1377.90 NIST
Inp 1354.00 NIST
Inp 1391.00 NIST
Inp 1389.00 NIST
I [2071.00; 2131.00]   Show Hide
I Outlier 2071.00 NIST
I 2109.00 NIST
I 2107.00 NIST
I 2131.00 NIST
I 2130.00 NIST
I 2130.00 NIST
I 2109.00 NIST
Tboil 516.00 K NIST
Tc 814.89 K Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 62.20 kJ/mol 434.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 398.50 ± 0.50 K 1.60 NIST


Property Value Unit Temperature (K) Source
Pvap [0.14; 202.66] kPa [352.00; 543.24] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.81400e+01
Coefficient B-6.77895e+03
Coefficient C-1.48100e+01
Temperature range, min.352.00
Temperature range, max.543.24
Pvap 0.14 kPa 352.00 Calculated Property
Pvap 0.46 kPa 373.25 Calculated Property
Pvap 1.33 kPa 394.50 Calculated Property
Pvap 3.43 kPa 415.75 Calculated Property
Pvap 8.03 kPa 437.00 Calculated Property
Pvap 17.33 kPa 458.24 Calculated Property
Pvap 34.87 kPa 479.49 Calculated Property
Pvap 66.00 kPa 500.74 Calculated Property
Pvap 118.40 kPa 521.99 Calculated Property
Pvap 202.66 kPa 543.24 Calculated Property

Similar Compounds

Benzyl isocyanate. p-Methylbenzyl isothiocyanate. 3-Methylbenzyl isothiocyanate. Benzene, 1-chloro-4-(isothiocyanatomethyl)-. m-Xylylene diisocyanate. 4-Fluorobenzyl isothiocyanate. Isothiocyanic acid, m-chlorobenzyl ester. Benzene, (isocyanomethyl)-. 1-Naphthalenemethyl isothiocyanate. 2-Methylbenzyl isothiocyanate. Benzene, (azidomethyl)-. 3,4-Dimethylbenzyl isothiocyanate. N'-Benzyl-N,N-dimethylformamidine. N,N-Difluorobenzylamine. Benzylamine.

Find more compounds similar to Benzene, (isothiocyanatomethyl)-.


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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.