Chemical Properties of methyl 3-acetoxybutanoate (CAS 89422-42-4)

methyl 3-acetoxybutanoate

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InChI
InChI=1S/C7H12O4/c1-5(11-6(2)8)4-7(9)10-3/h5H,4H2,1-3H3
InChI Key
GSQSJDKJUCRGGT-UHFFFAOYSA-N
Formula
C7H12O4
SMILES
COC(=O)CC(C)OC(C)=O
Molecular Weight1
160.17
CAS
89422-42-4
Other Names
  • methyl 3-acetoxybutyrate
  • Methyl butanoate, 3-acetoxy
  • Butanoic acid, 3-(acetyloxy)-, methyl ester
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Physical Properties

Property Value Unit Source
Δf -462.22 kJ/mol Joback Calculated Property
Δfgas -682.69 kJ/mol Joback Calculated Property
Δfus 15.94 kJ/mol Joback Calculated Property
Δvap 49.10 kJ/mol Joback Calculated Property
log10WS -0.59 Crippen Calculated Property
logPoct/wat 0.501 Crippen Calculated Property
McVol 124.370 ml/mol McGowan Calculated Property
Pc 3121.00 kPa Joback Calculated Property
Inp [1010.00; 1017.00]   Show Hide
Inp 1011.00 NIST
Inp 1016.00 NIST
Inp 1017.00 NIST
Inp 1010.00 NIST
I [1529.00; 1563.00]   Show Hide
I 1535.00 NIST
I 1529.00 NIST
I 1530.00 NIST
I 1563.00 NIST
Tboil 511.70 K Joback Calculated Property
Tc 701.34 K Joback Calculated Property
Tfus 297.97 K Joback Calculated Property
Vc 0.469 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [278.59; 336.95] J/mol×K [511.70; 701.34] Show Hide
Cp,gas 278.59 J/mol×K 511.70 Joback Calculated Property
Cp,gas 289.32 J/mol×K 543.31 Joback Calculated Property
Cp,gas 299.65 J/mol×K 574.91 Joback Calculated Property
Cp,gas 309.59 J/mol×K 606.52 Joback Calculated Property
Cp,gas 319.13 J/mol×K 638.13 Joback Calculated Property
Cp,gas 328.25 J/mol×K 669.73 Joback Calculated Property
Cp,gas 336.95 J/mol×K 701.34 Joback Calculated Property
η [0.0002344; 0.0027013] Pa×s [297.97; 511.70] Show Hide
η 0.0027013 Pa×s 297.97 Joback Calculated Property
η 0.0014459 Pa×s 333.59 Joback Calculated Property
η 0.0008732 Pa×s 369.21 Joback Calculated Property
η 0.0005762 Pa×s 404.84 Joback Calculated Property
η 0.0004067 Pa×s 440.46 Joback Calculated Property
η 0.0003024 Pa×s 476.08 Joback Calculated Property
η 0.0002344 Pa×s 511.70 Joback Calculated Property

Similar Compounds

Ethyl 3-acetoxybutyrate. (+-)-3-hydroxybutyric acid, acetate. (R)-3-Hydroxybutyric acid, methyl ether, methyl ester. ethyl 3-acetoxypentanoate. (+-)-3-hydroxybutyric acid, trifluoroacetate. Methyl hexanoate, 3-acetoxy. methyl 3-acetoxyoctanoate. Ethyl 3-acetoxyhexanoate. methyl 3-acetoxy-2-methylbutanoate. ethyl 3-acetoxyoctanoate. 1,3-Butanediol, diacetate. (+-)-3-hydroxybutyric acid, pentafluoropropionate. Malonic acid, butyl 2-butyl ester. 3-Methoxybutyl butyrate. Butanoic acid, 3-hydroxy-, ethyl ester.

Find more compounds similar to methyl 3-acetoxybutanoate.

Sources

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