Chemical Properties of 2-Buten-1-ol, 3-methyl-, acetate (CAS 1191-16-8)

2-Buten-1-ol, 3-methyl-, acetate

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InChI
InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
InChI Key
XXIKYCPRDXIMQM-UHFFFAOYSA-N
Formula
C7H12O2
SMILES
CC(=O)OCC=C(C)C
Molecular Weight1
128.17
CAS
1191-16-8
Other Names
  • 3,3-Dimethylallyl acetate
  • 3-Methyl, but-2-enyl acetate
  • 3-Methyl-2-buten-1-ol, acetate
  • 3-Methyl-2-buten-1-yl acetate
  • 3-Methyl-2-butenyl acetate
  • 3-Methyl-but-2-en-1-yl acetate
  • Dimethylallyl acetate
  • Isopent-2-enyl acetate
  • Prenyl acetate
  • «gamma»,«gamma»-Dimethylallyl acetate
  • «gamma»,«gamma»-Dimethylallyl acetate
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Physical Properties

Property Value Unit Source
Δf -154.19 kJ/mol Joback Calculated Property
Δfgas -325.18 kJ/mol Joback Calculated Property
Δfus 15.56 kJ/mol Joback Calculated Property
Δvap 40.37 kJ/mol Joback Calculated Property
log10WS -1.47 Crippen Calculated Property
logPoct/wat 1.516 Crippen Calculated Property
McVol 112.630 ml/mol McGowan Calculated Property
Pc 3131.49 kPa Joback Calculated Property
Inp [895.00; 929.00]   Show Hide
Inp 902.00 NIST
Inp 905.00 NIST
Inp 900.00 NIST
Inp 929.00 NIST
Inp 914.00 NIST
Inp 915.00 NIST
Inp 925.00 NIST
Inp 917.90 NIST
Inp 919.00 NIST
Inp 918.00 NIST
Inp 902.00 NIST
Inp 909.00 NIST
Inp 922.00 NIST
Inp 895.00 NIST
Inp 902.00 NIST
Inp 923.00 NIST
Inp 902.00 NIST
Inp 904.00 NIST
Inp 902.00 NIST
Inp 917.00 NIST
Inp 900.00 NIST
Inp 901.00 NIST
Inp 902.00 NIST
Inp 917.90 NIST
I [1200.00; 1266.00]   Show Hide
I Outlier 1200.00 NIST
I 1250.00 NIST
I 1251.00 NIST
I 1256.00 NIST
I 1249.00 NIST
I 1248.00 NIST
I 1249.00 NIST
I 1249.00 NIST
I 1266.00 NIST
I 1254.00 NIST
I 1243.00 NIST
I 1249.00 NIST
I 1251.00 NIST
I 1243.00 NIST
Tboil 439.89 K Joback Calculated Property
Tc 628.49 K Joback Calculated Property
Tfus 221.77 K Joback Calculated Property
Vc 0.432 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [222.62; 281.54] J/mol×K [439.89; 628.49] Show Hide
Cp,gas 222.62 J/mol×K 439.89 Joback Calculated Property
Cp,gas 233.55 J/mol×K 471.32 Joback Calculated Property
Cp,gas 244.02 J/mol×K 502.76 Joback Calculated Property
Cp,gas 254.05 J/mol×K 534.19 Joback Calculated Property
Cp,gas 263.64 J/mol×K 565.63 Joback Calculated Property
Cp,gas 272.80 J/mol×K 597.06 Joback Calculated Property
Cp,gas 281.54 J/mol×K 628.49 Joback Calculated Property
ΔvapH 47.80 kJ/mol 298.15 Vapor p...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [338.15; 438.86] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.89075e+01
Coefficient B-5.07474e+03
Coefficient C-6.56080e+01
Temperature range, min.338.15
Temperature range, max.438.86
Pvap 1.33 kPa 338.15 Calculated Property
Pvap 2.78 kPa 349.34 Calculated Property
Pvap 5.48 kPa 360.53 Calculated Property
Pvap 10.27 kPa 371.72 Calculated Property
Pvap 18.43 kPa 382.91 Calculated Property
Pvap 31.78 kPa 394.10 Calculated Property
Pvap 52.87 kPa 405.29 Calculated Property
Pvap 85.14 kPa 416.48 Calculated Property
Pvap 133.13 kPa 427.67 Calculated Property
Pvap 202.65 kPa 438.86 Calculated Property

Similar Compounds

3-Methyl-2-butenoic acid, 3-methylbut-2-enyl ester. Acetoxyacetic acid, 3-methylbut-2-enyl ester. Trichloroacetic acid, 3-methylbut-2-enyl ester. (Z)-2-methylbut-2-en-1,4-diyl diacetate. (E)-2-methylbut-2-en-1,4-diyl diacetate. 2-Buten-1-ol, acetate. 3-Chloropropionic acid, 3-methylbut-2-enyl ester. Succinic acid, di(3-methylbut-2-en-1-yl) ester. 3-Methylbut-2-en-1-yl pivalate. Propanoic acid, 2-methyl-, 3-methyl-2-butenyl ester. 2-Butene-1,4-diol, diacetate. cis-1,4-Diacetoxy-2-butene. Butanoic acid, 3-methylbut-2-enyl ester. 2-methyl-2(Z)-butenyl acetate. 2-Methylbut-2-en-1-yl acetate.

Find more compounds similar to 2-Buten-1-ol, 3-methyl-, acetate.

Sources

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