Chemical Properties of Acetyl chloride (CAS 75-36-5)

Acetyl chloride

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InChI
InChI=1S/C2H3ClO/c1-2(3)4/h1H3
InChI Key
WETWJCDKMRHUPV-UHFFFAOYSA-N
Formula
C2H3ClO
SMILES
CC(=O)Cl
Molecular Weight1
78.50
CAS
75-36-5
Other Names
  • ACETIC CHLORIDE
  • Acetic acid chloride
  • Acetic acid monochloride
  • CH3COCl
  • ETHANOYL CHLORIDE
  • Rcra waste number U006
  • UN 1717
  • UN1717 (DOT)

Physical Properties

Property Value Unit Source
ω 0.3440 KDB
Tig 663.15 K KDB
μ 2.40 debye KDB
Tflash,oc 277.59 K KDB
Δf -206.40 kJ/mol KDB
Δfgas [-251.30; -244.00] kJ/mol Show Hide
Δfgas -244.10 kJ/mol KDB
Δfgas -251.30 ± 0.50 kJ/mol NIST
Δfgas -244.00 ± 0.80 kJ/mol NIST
Δfgas -246.60 kJ/mol NIST
Δfliquid [-275.20; -272.00] kJ/mol Show Hide
Δfliquid -272.00 ± 0.50 kJ/mol NIST
Δfliquid -274.00 ± 0.59 kJ/mol NIST
Δfliquid -275.20 ± 0.20 kJ/mol NIST
Δfus 6.73 kJ/mol Joback Calculated Property
Δvap [23.80; 28.60] kJ/mol Show Hide
Δvap 23.80 ± 0.20 kJ/mol NIST
Δvap 28.60 kJ/mol NIST
IE [10.78; 11.08] eV Show Hide
IE 10.82 ± 0.04 eV NIST
IE 10.78 eV NIST
IE 10.85 ± 0.05 eV NIST
IE 11.05 eV NIST
IE 11.08 ± 0.06 eV NIST
IE 11.02 ± 0.05 eV NIST
IE 11.03 eV NIST
IE 11.03 eV NIST
log10WS -0.59 Crippen Calculated Property
logPoct/wat 0.772 Crippen Calculated Property
McVol 52.850 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 3 KDB
NFPA Safety 2 KDB
Pc 5870.00 kPa KDB
Inp [542.00; 542.00]   Show Hide
Inp 542.00 NIST
Inp 542.00 NIST
Inp 542.00 NIST
Inp 542.00 NIST
Tboil [323.90; 328.00] K Show Hide
Tboil 323.90 K KDB
Tboil 325.20 K NIST
Tboil 325.00 ± 4.00 K NIST
Tboil 324.00 ± 2.00 K NIST
Tboil 324.00 ± 3.00 K NIST
Tboil 324.00 ± 2.00 K NIST
Tboil 324.00 ± 2.00 K NIST
Tboil Outlier 328.00 ± 2.00 K NIST
Tboil 324.10 ± 0.40 K NIST
Tboil 324.20 ± 0.60 K NIST
Tboil 324.40 ± 0.60 K NIST
Tc 508.00 K KDB
Tfus [160.20; 161.20] K Show Hide
Tfus 160.20 K KDB
Tfus 160.29 ± 0.07 K NIST
Tfus 161.20 ± 0.60 K NIST
Vc 0.204 m3/kmol KDB
Zc 0.2835100 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [70.06; 89.90] J/mol×K [336.46; 525.32] Show Hide
Cp,gas 70.06 J/mol×K 336.46 Joback Calculated Property
Cp,gas 73.72 J/mol×K 367.94 Joback Calculated Property
Cp,gas 77.24 J/mol×K 399.41 Joback Calculated Property
Cp,gas 80.61 J/mol×K 430.89 Joback Calculated Property
Cp,gas 83.84 J/mol×K 462.36 Joback Calculated Property
Cp,gas 86.94 J/mol×K 493.84 Joback Calculated Property
Cp,gas 89.90 J/mol×K 525.32 Joback Calculated Property
Cp,liquid 117.20 J/mol×K 298.00 NIST
η [0.0003359; 0.0025970] Pa×s [192.15; 336.46] Show Hide
η 0.0025970 Pa×s 192.15 Joback Calculated Property
η 0.0015279 Pa×s 216.20 Joback Calculated Property
η 0.0009996 Pa×s 240.25 Joback Calculated Property
η 0.0007065 Pa×s 264.31 Joback Calculated Property
η 0.0005291 Pa×s 288.36 Joback Calculated Property
η 0.0004143 Pa×s 312.41 Joback Calculated Property
η 0.0003359 Pa×s 336.46 Joback Calculated Property
ΔvapH [24.50; 31.50] kJ/mol [295.50; 323.90] Show Hide
ΔvapH 31.50 kJ/mol 295.50 NIST
ΔvapH 24.50 kJ/mol 298.00 NIST
ΔvapH 28.66 kJ/mol 323.90 KDB
ΔvapH 30.10 ± 0.42 kJ/mol 323.90 NIST
ρl 1104.00 kg/m3 293.00 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [239.34; 346.00] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47561e+01
Coefficient B-2.90110e+03
Coefficient C-3.88330e+01
Temperature range, min.239.34
Temperature range, max.346.00
Pvap 1.33 kPa 239.34 Calculated Property
Pvap 2.99 kPa 251.19 Calculated Property
Pvap 6.15 kPa 263.04 Calculated Property
Pvap 11.78 kPa 274.89 Calculated Property
Pvap 21.20 kPa 286.74 Calculated Property
Pvap 36.16 kPa 298.60 Calculated Property
Pvap 58.86 kPa 310.45 Calculated Property
Pvap 91.99 kPa 322.30 Calculated Property
Pvap 138.71 kPa 334.15 Calculated Property
Pvap 202.64 kPa 346.00 Calculated Property

Similar Compounds

Acetyl chloride, chloro-. Bromoacetyl chloride. Acetaldehyde. Acetyl iodide. MeCO2 anion. Ethane, 1,1,1-trichloro-. Acetyl bromide. acetyl fluoride. Malonyl dichloride. Acetaldehyde, chloro-. Acetic acid, sodium salt. Sodium acetate. CH2CHO. Pyruvyl chloride or 2-oxo-propionyl chloride. Acetyl cyanide.

Find more compounds similar to Acetyl chloride.

Sources

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

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