Chemical Properties of Propanoic acid, 2,2-dichloro-, methyl ester

Propanoic acid, 2,2-dichloro-, methyl ester

InChI
InChI=1S/C4H6Cl2O2/c1-4(5,6)3(7)8-2/h1-2H3
InChI Key
RDYUJBOUMXIDPY-UHFFFAOYSA-N
Formula
C4H6Cl2O2
SMILES
COC(=O)C(C)(Cl)Cl
Molecular Weight1
157.00
Other Names
  • 2,2-Dichloropropanoic acid methyl ester
  • Methyl 2,2-dichloropropionate
  • Propionic acid, 2,2-dichloro-, methyl ester
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Physical Properties

Property Value Unit Source
ΔfH°gas -454.94 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.46 kJ/mol Joback Calculated Property
ΔvapH° 48.40 kJ/mol Relay (1.0) Calculated Property
IE 10.69 eV Relay (1.0) Calculated Property
logPoct/wat 1.353 Crippen Calculated Property
McVol 99.140 ml/mol McGowan Calculated Property
Inp [848.00; 859.00]   Show Hide
Inp 859.00 NIST
Inp 854.00 NIST
Inp 859.00 NIST
Inp 848.00 NIST
Inp 859.00 NIST
Tboil 416.74 K Relay (1.0) Calculated Property
Tfus 229.96 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [132.02; 251.81] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.59700e+01
Coefficient B4.68440e-01
Coefficient C-3.11800e-04
Coefficient D6.92000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 132.02 J/mol×K 273.00 Calculated Property
Cp,gas 155.73 J/mol×K 353.78 Calculated Property
Cp,gas 176.33 J/mol×K 434.56 Calculated Property
Cp,gas 194.04 J/mol×K 515.33 Calculated Property
Cp,gas 209.07 J/mol×K 596.11 Calculated Property
Cp,gas 221.65 J/mol×K 676.89 Calculated Property
Cp,gas 232.00 J/mol×K 757.67 Calculated Property
Cp,gas 240.33 J/mol×K 838.44 Calculated Property
Cp,gas 246.86 J/mol×K 919.22 Calculated Property
Cp,gas 251.81 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0071709; 0.0003107] Pa×s [239.43; 437.51] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.18708e+01
Coefficient B1.65998e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.239.43
Temperature range, max.437.51
η 0.0071709 Pa×s 239.43 Calculated Property
η 0.0040004 Pa×s 261.44 Calculated Property
η 0.0024434 Pa×s 283.45 Calculated Property
η 0.0016023 Pa×s 305.46 Calculated Property
η 0.0011120 Pa×s 327.46 Calculated Property
η 0.0008081 Pa×s 349.47 Calculated Property
η 0.0006099 Pa×s 371.48 Calculated Property
η 0.0004750 Pa×s 393.49 Calculated Property
η 0.0003799 Pa×s 415.50 Calculated Property
η 0.0003107 Pa×s 437.51 Calculated Property

Similar Compounds

METHYL 3-BROMO-2,2-DICHLORO-PROPANOATE. Propanoic acid, 2,2,3-trichloro-, methyl ester. Propanoic acid, 2,2-dichloro-, 1,2-ethanediyl ester. Propanoic acid, 2-chloro-, methyl ester, (s)-. Propanoic acid, 2-chloro-, methyl ester. METHYL 2,2,3,3-TETRACHLORO-PROPANOATE. Butanoic acid, 2,2-dichloro-, methyl ester. 2-Hydroxyethyl alpha,alpha-dichloro propionate. Dimethyl dichloromalonate. Isopropyl, a,a-dichloropropionate. Propanoic acid, 2,2-dichloro-. 3-[(2,2-Dichloropropanoyl)oxy]-2,2-bis([(2,2-dichloropropanoyl)oxy]methyl)propyl 2,2-dichloropropanoate. Dimethyl 2,2-dichlorobutanedioate. Propanoic acid, pentachloro-, methyl ester. 1,3-Propanediol bis(alpha,alpha-di-chloropropionate).

Find more compounds similar to Propanoic acid, 2,2-dichloro-, methyl ester.

Sources

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