Chemical Properties of Acetic acid, dichloro-, methyl ester (CAS 116-54-1)

Acetic acid, dichloro-, methyl ester

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InChI
InChI=1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
InChI Key
HKMLRUAPIDAGIE-UHFFFAOYSA-N
Formula
C3H4Cl2O2
SMILES
COC(=O)C(Cl)Cl
Molecular Weight1
142.97
CAS
116-54-1
Other Names
  • Dichloroacetic acid methyl ester
  • Methyl dichloroacetate
  • UN 2299
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Physical Properties

Property Value Unit Source
Δcliquid [-1316.00; -1312.00] kJ/mol Show Hide
Δcliquid -1316.00 ± 4.00 kJ/mol NIST
Δcliquid -1312.00 kJ/mol NIST
Δf -285.84 kJ/mol Joback Calculated Property
Δfgas -386.81 kJ/mol Joback Calculated Property
Δfus 11.18 kJ/mol Joback Calculated Property
Δvap [38.00; 47.72] kJ/mol Show Hide
Δvap 47.72 ± 0.10 kJ/mol NIST
Δvap 47.70 ± 0.10 kJ/mol NIST
Δvap 38.00 kJ/mol NIST
log10WS -0.85 Crippen Calculated Property
logPoct/wat 0.963 Crippen Calculated Property
McVol 85.050 ml/mol McGowan Calculated Property
Pc 4294.29 kPa Joback Calculated Property
Inp [785.00; 835.00]   Show Hide
Inp 808.00 NIST
Inp 791.00 NIST
Inp 785.00 NIST
Inp 821.00 NIST
Inp Outlier 835.00 NIST
Inp 792.00 NIST
Inp 786.00 NIST
Inp 811.50 NIST
Inp 810.00 NIST
Inp 808.00 NIST
Inp 792.00 NIST
I [1361.00; 1391.00]   Show Hide
I 1361.00 NIST
I 1387.00 NIST
I 1365.00 NIST
I 1362.00 NIST
I 1391.00 NIST
I 1361.00 NIST
Tboil [416.00; 416.00] K Show Hide
Tboil 416.00 K NIST
Tboil 416.00 ± 3.00 K NIST
Tc 620.11 K Joback Calculated Property
Tfus 221.20 ± 0.02 K NIST
Vc 0.320 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [137.02; 165.90] J/mol×K [418.75; 620.11] Show Hide
Cp,gas 137.02 J/mol×K 418.75 Joback Calculated Property
Cp,gas 142.32 J/mol×K 452.31 Joback Calculated Property
Cp,gas 147.43 J/mol×K 485.87 Joback Calculated Property
Cp,gas 152.35 J/mol×K 519.43 Joback Calculated Property
Cp,gas 157.07 J/mol×K 552.99 Joback Calculated Property
Cp,gas 161.59 J/mol×K 586.55 Joback Calculated Property
Cp,gas 165.90 J/mol×K 620.11 Joback Calculated Property
η [0.0003593; 0.0038551] Pa×s [240.57; 418.75] Show Hide
η 0.0038551 Pa×s 240.57 Joback Calculated Property
η 0.0020888 Pa×s 270.27 Joback Calculated Property
η 0.0012778 Pa×s 299.96 Joback Calculated Property
η 0.0008540 Pa×s 329.66 Joback Calculated Property
η 0.0006101 Pa×s 359.36 Joback Calculated Property
η 0.0004588 Pa×s 389.05 Joback Calculated Property
η 0.0003593 Pa×s 418.75 Joback Calculated Property
ΔvapH [44.90; 47.20] kJ/mol [346.00; 406.00] Show Hide
ΔvapH 47.20 kJ/mol 346.00 NIST
ΔvapH 44.90 kJ/mol 406.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [310.95; 441.80] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47756e+01
Coefficient B-3.57133e+03
Coefficient C-6.44470e+01
Temperature range, min.310.95
Temperature range, max.441.80
Pvap 1.33 kPa 310.95 Calculated Property
Pvap 2.99 kPa 325.49 Calculated Property
Pvap 6.15 kPa 340.03 Calculated Property
Pvap 11.77 kPa 354.57 Calculated Property
Pvap 21.18 kPa 369.11 Calculated Property
Pvap 36.13 kPa 383.64 Calculated Property
Pvap 58.83 kPa 398.18 Calculated Property
Pvap 91.95 kPa 412.72 Calculated Property
Pvap 138.68 kPa 427.26 Calculated Property
Pvap 202.65 kPa 441.80 Calculated Property

Similar Compounds

chloromethyl dichloroacetate. Acetic acid, chloro-, methyl ester. Acetic acid, trichloro-, methyl ester. Acetic acid, bromochloro-, methyl ester. Acetic acid, dichloro-, ethyl ester. 2-Propyl-1-ol, dichloroacetate. Vinyl dichloro acetate. Chloromethyl chloroacetate. 2-chloroethyl dichloroacetate. Dichloroacetic anhydride. chloromethyl trichloroacetate. Acetic acid, methyl ester. Acetic acid, chloro-, ethyl ester. Dimethyl chloromalonate. Chloroacetic acid, 2,2,2-trichloroethyl ester.

Find more compounds similar to Acetic acid, dichloro-, methyl ester.

Sources

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