Chemical Properties of Hexanoic acid, 2-propenyl ester (CAS 123-68-2)

Hexanoic acid, 2-propenyl ester

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InChI
InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
InChI Key
RCSBILYQLVXLJG-UHFFFAOYSA-N
Formula
C9H16O2
SMILES
C=CCOC(=O)CCCCC
Molecular Weight1
156.22
CAS
123-68-2
Other Names
  • 2-Propenyl hexanoate
  • 2-Propenyl n-hexanoate
  • Allyl caproate
  • Allyl hexanoate
  • Allyl n-hexanoate
  • Allylester kyseliny kapronove
  • Hexanoic acid, allyl ester
  • allyl capronate
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Physical Properties

Property Value Unit Source
Δf -121.18 kJ/mol Joback Calculated Property
Δfgas -348.46 kJ/mol Joback Calculated Property
Δfus 20.57 kJ/mol Joback Calculated Property
Δvap 44.11 kJ/mol Joback Calculated Property
log10WS -2.31 Crippen Calculated Property
logPoct/wat 2.296 Crippen Calculated Property
McVol 140.810 ml/mol McGowan Calculated Property
Pc 2515.07 kPa Joback Calculated Property
Inp [1056.00; 1080.00]   Show Hide
Inp 1056.00 NIST
Inp 1061.00 NIST
Inp Outlier 1080.00 NIST
Inp 1062.00 NIST
Inp 1062.00 NIST
Inp 1057.00 NIST
Inp 1071.00 NIST
Inp 1065.00 NIST
Inp 1057.00 NIST
Inp 1065.00 NIST
Inp 1056.00 NIST
Inp 1065.00 NIST
Inp 1061.00 NIST
Inp 1057.00 NIST
I [1356.00; 1371.00]   Show Hide
I 1370.00 NIST
I 1358.00 NIST
I 1360.00 NIST
I 1371.00 NIST
I 1360.00 NIST
I 1356.00 NIST
I 1356.00 NIST
I 1371.00 NIST
Tboil 478.29 K Joback Calculated Property
Tc 655.34 K Joback Calculated Property
Tfus 261.59 K Joback Calculated Property
Vc 0.544 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [305.44; 374.26] J/mol×K [478.29; 655.34] Show Hide
Cp,gas 305.44 J/mol×K 478.29 Joback Calculated Property
Cp,gas 318.12 J/mol×K 507.80 Joback Calculated Property
Cp,gas 330.31 J/mol×K 537.31 Joback Calculated Property
Cp,gas 342.00 J/mol×K 566.81 Joback Calculated Property
Cp,gas 353.22 J/mol×K 596.32 Joback Calculated Property
Cp,gas 363.97 J/mol×K 625.83 Joback Calculated Property
Cp,gas 374.26 J/mol×K 655.34 Joback Calculated Property
η [0.0002419; 0.0030378] Pa×s [261.59; 478.29] Show Hide
η 0.0030378 Pa×s 261.59 Joback Calculated Property
η 0.0015428 Pa×s 297.71 Joback Calculated Property
η 0.0009072 Pa×s 333.82 Joback Calculated Property
η 0.0005918 Pa×s 369.94 Joback Calculated Property
η 0.0004165 Pa×s 406.06 Joback Calculated Property
η 0.0003104 Pa×s 442.17 Joback Calculated Property
η 0.0002419 Pa×s 478.29 Joback Calculated Property
ΔvapH 55.20 kJ/mol 298.15 Vapor p...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [348.02; 491.64] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50787e+01
Coefficient B-4.13006e+03
Coefficient C-6.87940e+01
Temperature range, min.348.02
Temperature range, max.491.64
Pvap 1.33 kPa 348.02 Calculated Property
Pvap 2.97 kPa 363.98 Calculated Property
Pvap 6.08 kPa 379.94 Calculated Property
Pvap 11.62 kPa 395.89 Calculated Property
Pvap 20.90 kPa 411.85 Calculated Property
Pvap 35.69 kPa 427.81 Calculated Property
Pvap 58.23 kPa 443.77 Calculated Property
Pvap 91.29 kPa 459.72 Calculated Property
Pvap 138.15 kPa 475.68 Calculated Property
Pvap 202.63 kPa 491.64 Calculated Property

Similar Compounds

Allyl heptanoate. Allyl nonanoate. Allyl palmitate. Allyl heptadecanoate. Allyl myristate. Decanoic acid, 2-propenyl ester. Allyl nonadecanoate. Allyl undecanoate. Octanoic acid, 2-propenyl ester. Allyl behenoate. Allyl tricosanoate. Allyl pentadecanoate. Octadecanoic acid, 2-propenyl ester. Allyl heneicosanoate. Allyl tridecanoate.

Find more compounds similar to Hexanoic acid, 2-propenyl ester.

Sources

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