Chemical Properties of Acetic acid, chloro-, isobutyl ester (CAS 13361-35-8)

Acetic acid, chloro-, isobutyl ester

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InChI
InChI=1S/C6H11ClO2/c1-5(2)4-9-6(8)3-7/h5H,3-4H2,1-2H3
InChI Key
QSGCJQBBHYWZHS-UHFFFAOYSA-N
Formula
C6H11ClO2
SMILES
CC(C)COC(=O)CCl
Molecular Weight1
150.60
CAS
13361-35-8
Other Names
  • Acetic acid, chloro-, 2-methylpropyl ester
  • Chloroacetic acid, 2-methylpropyl ester
  • Isobutyl chloroacetate
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Physical Properties

Property Value Unit Source
Δcliquid -3399.00 kJ/mol NIST
Δf -248.65 kJ/mol Joback Calculated Property
Δfgas -432.99 kJ/mol Joback Calculated Property
Δfus 14.76 kJ/mol Joback Calculated Property
Δvap 40.00 kJ/mol NIST
log10WS -1.11 Crippen Calculated Property
logPoct/wat 1.424 Crippen Calculated Property
McVol 115.080 ml/mol McGowan Calculated Property
Pc 3166.83 kPa Joback Calculated Property
Inp [956.00; 988.00]   Show Hide
Inp 959.60 NIST
Inp 956.00 NIST
Inp 956.00 NIST
Inp 964.00 NIST
Inp Outlier 988.00 NIST
Inp 956.00 NIST
Inp 956.00 NIST
Inp 959.60 NIST
I [1392.00; 1392.00]   Show Hide
I 1392.00 NIST
I 1392.00 NIST
Tboil 449.96 K Joback Calculated Property
Tc 638.50 K Joback Calculated Property
Tfus 244.46 K Joback Calculated Property
Vc 0.439 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [225.04; 278.93] J/mol×K [449.96; 638.50] Show Hide
Cp,gas 225.04 J/mol×K 449.96 Joback Calculated Property
Cp,gas 234.96 J/mol×K 481.38 Joback Calculated Property
Cp,gas 244.50 J/mol×K 512.81 Joback Calculated Property
Cp,gas 253.66 J/mol×K 544.23 Joback Calculated Property
Cp,gas 262.46 J/mol×K 575.65 Joback Calculated Property
Cp,gas 270.88 J/mol×K 607.08 Joback Calculated Property
Cp,gas 278.93 J/mol×K 638.50 Joback Calculated Property
η [0.0002866; 0.0043249] Pa×s [244.46; 449.96] Show Hide
η 0.0043249 Pa×s 244.46 Joback Calculated Property
η 0.0020836 Pa×s 278.71 Joback Calculated Property
η 0.0011778 Pa×s 312.96 Joback Calculated Property
η 0.0007450 Pa×s 347.21 Joback Calculated Property
η 0.0005117 Pa×s 381.46 Joback Calculated Property
η 0.0003739 Pa×s 415.71 Joback Calculated Property
η 0.0002866 Pa×s 449.96 Joback Calculated Property
ΔvapH 43.90 kJ/mol 308.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.42; 202.64] kPa [293.00; 528.42] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.12750e+01
Coefficient B-2.75686e+03
Coefficient C-6.61400e+01
Temperature range, min.293.00
Temperature range, max.528.42
Pvap 0.42 kPa 293.00 Calculated Property
Pvap 1.46 kPa 319.16 Calculated Property
Pvap 4.06 kPa 345.32 Calculated Property
Pvap 9.45 kPa 371.47 Calculated Property
Pvap 19.27 kPa 397.63 Calculated Property
Pvap 35.40 kPa 423.79 Calculated Property
Pvap 59.87 kPa 449.95 Calculated Property
Pvap 94.67 kPa 476.10 Calculated Property
Pvap 141.70 kPa 502.26 Calculated Property
Pvap 202.64 kPa 528.42 Calculated Property

Similar Compounds

Dichloroacetic acid 2-methylpropyl ester. Isobutyl acetate. Trichloroacetic acid 2-methylpropyl ester. Isobutyl 2-chloropropanoate. Propanoic acid, 2-chloro, 2-methylpropyl ester. Isobutyl iodoacetate. 1,3-Propanediol, 2-methyl-, diacetate. Propanoic acid, 2-methylpropyl ester. Acetic acid, bromo-, 2-methylpropyl ester. isobutyl cyanoacetate. Chloroacetic acid, propyl ester. Propanoic acid, 2-methyl-, 2-methylpropyl ester. 3-Chloropropanoic acid 2-methylpropyl ester. Propanedioic acid, diisobutyl ester. Isobutyl 2,3-dichloropropanoate.

Find more compounds similar to Acetic acid, chloro-, isobutyl ester.

Sources

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