Chemical Properties of Benzoyl chloride (CAS 98-88-4)

Benzoyl chloride

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InChI
InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChI Key
PASDCCFISLVPSO-UHFFFAOYSA-N
Formula
C7H5ClO
SMILES
O=C(Cl)c1ccccc1
Molecular Weight1
140.57
CAS
98-88-4
Other Names
  • ALPHA-CHLORO-BENZALDEHYDE
  • BENZENECARBONYL CHLORIDE
  • Benzaldehyde, «alpha»-chloro-
  • Benzaldehyde, «alpha»-chloro-
  • Benzoic acid, chloride
  • UN 1736
  • «alpha»-Chlorobenzaldehyde
  • «alpha»-Chlorobenzaldehyde
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Physical Properties

Property Value Unit Source
Δcliquid -3332.60 kJ/mol NIST
Δf -20.38 kJ/mol Joback Calculated Property
Δfgas -109.00 ± 4.20 kJ/mol NIST
Δfliquid [-164.40; -157.30] kJ/mol Show Hide
Δfliquid -157.30 ± 0.40 kJ/mol NIST
Δfliquid -160.30 kJ/mol NIST
Δfliquid -164.40 kJ/mol NIST
Δfus 13.72 kJ/mol Joback Calculated Property
Δvap 54.80 ± 4.20 kJ/mol NIST
IE [9.52; 10.00] eV Show Hide
IE 9.53 eV NIST
IE 9.54 eV NIST
IE 9.52 eV NIST
IE 9.69 eV NIST
IE 9.92 eV NIST
IE 9.85 eV NIST
IE 9.70 ± 0.01 eV NIST
IE 9.79 eV NIST
IE 10.00 eV NIST
IE 9.79 eV NIST
log10WS -2.36 Crippen Calculated Property
logPoct/wat 2.066 Crippen Calculated Property
McVol 99.540 ml/mol McGowan Calculated Property
Pc 4255.16 kPa Joback Calculated Property
Inp [1036.50; 1095.10]   Show Hide
Inp 1080.00 NIST
Inp 1036.50 NIST
Inp 1038.00 NIST
Inp 1095.10 NIST
Inp 1046.00 NIST
Tboil [469.00; 472.20] K Show Hide
Tboil 469.85 K KDB
Tboil 470.40 K NIST
Tboil 471.00 K NIST
Tboil 470.00 K NIST
Tboil 471.00 ± 7.00 K NIST
Tboil 469.00 ± 3.00 K NIST
Tboil 471.00 ± 3.00 K NIST
Tboil 472.20 ± 3.00 K NIST
Tboil 470.35 ± 0.50 K NIST
Tc 709.16 K Joback Calculated Property
Tfus [272.00; 272.75] K Show Hide
Tfus 272.55 K KDB
Tfus 272.00 K NIST
Tfus 272.52 ± 0.35 K NIST
Tfus 272.75 ± 0.20 K NIST
Vc 0.374 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [176.16; 224.88] J/mol×K [477.54; 709.16] Show Hide
Cp,gas 176.16 J/mol×K 477.54 Joback Calculated Property
Cp,gas 185.94 J/mol×K 516.14 Joback Calculated Property
Cp,gas 195.02 J/mol×K 554.75 Joback Calculated Property
Cp,gas 203.42 J/mol×K 593.35 Joback Calculated Property
Cp,gas 211.17 J/mol×K 631.95 Joback Calculated Property
Cp,gas 218.31 J/mol×K 670.55 Joback Calculated Property
Cp,gas 224.88 J/mol×K 709.16 Joback Calculated Property
Cp,liquid 187.00 J/mol×K 298.00 NIST
η [0.0003211; 0.0028759] Pa×s [274.92; 477.54] Show Hide
η 0.0028759 Pa×s 274.92 Joback Calculated Property
η 0.0016342 Pa×s 308.69 Joback Calculated Property
η 0.0010381 Pa×s 342.46 Joback Calculated Property
η 0.0007154 Pa×s 376.23 Joback Calculated Property
η 0.0005242 Pa×s 410.00 Joback Calculated Property
η 0.0004027 Pa×s 443.77 Joback Calculated Property
η 0.0003211 Pa×s 477.54 Joback Calculated Property
ΔvapH 49.60 kJ/mol 387.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.62] kPa [345.72; 489.08] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.61165e+01
Coefficient B-4.88082e+03
Coefficient C-3.73660e+01
Temperature range, min.345.72
Temperature range, max.489.08
Pvap 1.33 kPa 345.72 Calculated Property
Pvap 2.90 kPa 361.65 Calculated Property
Pvap 5.87 kPa 377.58 Calculated Property
Pvap 11.15 kPa 393.51 Calculated Property
Pvap 20.05 kPa 409.44 Calculated Property
Pvap 34.36 kPa 425.36 Calculated Property
Pvap 56.43 kPa 441.29 Calculated Property
Pvap 89.25 kPa 457.22 Calculated Property
Pvap 136.51 kPa 473.15 Calculated Property
Pvap 202.62 kPa 489.08 Calculated Property

Similar Compounds

1,4-Benzenedicarbonyl dichloride. 1,3-Benzenedicarbonyl dichloride. 2-Naphthalenecarbonyl chloride. Benzoyl chloride, 4-iodo-. 1,2-Benzenedicarbonyl dichloride. Benzoyl chloride, 4-bromo-. Benzoyl chloride, 4-chloro-. 3-Bromobenzoyl chloride. Benzoyl chloride, 3-chloro-. Benzoyl chloride, 4-fluoro-. Benzoyl chloride, 3-fluoro-. Benzoyl chloride, 4-methyl-. 4-(Trifluoromethyl)benzoyl chloride. 1-Naphthalenecarbonyl chloride. 2-Iodobenzoyl chloride.

Find more compounds similar to Benzoyl chloride.

Sources

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