Chemical Properties of Propanoic acid, 2-methyl-, octyl ester (CAS 109-15-9)

Propanoic acid, 2-methyl-, octyl ester

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InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3
InChI Key
PQCYCHFQWMNQRJ-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CCCCCCCCOC(=O)C(C)C
Molecular Weight1
200.32
CAS
109-15-9
Other Names
  • Caprylyl isobutyrate
  • ENT 24265
  • Isobutyric acid, octyl ester
  • Octyl Isobutyrate
  • Octyl isobutanoate
  • n-Octyl isobutyrate
  • octyl 2-methyl propanoate
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Physical Properties

Property Value Unit Source
Δf -186.20 kJ/mol Joback Calculated Property
Δfgas -541.09 kJ/mol Joback Calculated Property
Δfus 26.10 kJ/mol Joback Calculated Property
Δvap 51.07 kJ/mol Joback Calculated Property
log10WS -3.47 Crippen Calculated Property
logPoct/wat 3.546 Crippen Calculated Property
McVol 187.380 ml/mol McGowan Calculated Property
Pc 1864.33 kPa Joback Calculated Property
Inp [1311.00; 1349.00]   Show Hide
Inp 1348.00 NIST
Inp 1336.00 NIST
Inp 1343.90 NIST
Inp 1329.00 NIST
Inp 1329.00 NIST
Inp 1329.00 NIST
Inp 1349.00 NIST
Inp 1328.00 NIST
Inp Outlier 1311.00 NIST
Inp 1348.00 NIST
Inp 1332.00 NIST
Inp 1331.00 NIST
Inp 1335.00 NIST
Inp 1325.00 NIST
Inp 1325.00 NIST
Inp 1332.00 NIST
Inp 1348.00 NIST
I [1535.00; 1547.00]   Show Hide
I 1543.00 NIST
I 1535.00 NIST
I 1547.00 NIST
I 1535.00 NIST
I 1547.00 NIST
Tboil 549.81 K Joback Calculated Property
Tc 722.69 K Joback Calculated Property
Tfus 282.16 K Joback Calculated Property
Vc 0.726 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [464.44; 551.11] J/mol×K [549.81; 722.69] Show Hide
Cp,gas 464.44 J/mol×K 549.81 Joback Calculated Property
Cp,gas 480.46 J/mol×K 578.62 Joback Calculated Property
Cp,gas 495.83 J/mol×K 607.44 Joback Calculated Property
Cp,gas 510.57 J/mol×K 636.25 Joback Calculated Property
Cp,gas 524.69 J/mol×K 665.07 Joback Calculated Property
Cp,gas 538.20 J/mol×K 693.88 Joback Calculated Property
Cp,gas 551.11 J/mol×K 722.69 Joback Calculated Property
η [0.0001764; 0.0042661] Pa×s [282.16; 549.81] Show Hide
η 0.0042661 Pa×s 282.16 Joback Calculated Property
η 0.0017460 Pa×s 326.77 Joback Calculated Property
η 0.0008857 Pa×s 371.38 Joback Calculated Property
η 0.0005197 Pa×s 415.99 Joback Calculated Property
η 0.0003381 Pa×s 460.59 Joback Calculated Property
η 0.0002373 Pa×s 505.20 Joback Calculated Property
η 0.0001764 Pa×s 549.81 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [383.72; 542.35] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.48628e+01
Coefficient B-4.39564e+03
Coefficient C-8.21380e+01
Temperature range, min.383.72
Temperature range, max.542.35
Pvap 1.33 kPa 383.72 Calculated Property
Pvap 2.98 kPa 401.35 Calculated Property
Pvap 6.13 kPa 418.97 Calculated Property
Pvap 11.73 kPa 436.60 Calculated Property
Pvap 21.10 kPa 454.22 Calculated Property
Pvap 36.00 kPa 471.85 Calculated Property
Pvap 58.65 kPa 489.47 Calculated Property
Pvap 91.76 kPa 507.10 Calculated Property
Pvap 138.54 kPa 524.72 Calculated Property
Pvap 202.66 kPa 542.35 Calculated Property

Similar Compounds

Propanoic acid, 2-methyl-, decyl ester. Propanoic acid, 2-methyl-, nonyl ester. Eicosyl isobutyrate. Propanoic acid, 2-methyl-, heptyl ester. Propanoic acid, 2-methyl-, hexyl ester. Propanoic acid, 2-methyl-, pentyl ester. Propanoic acid, decyl ester. Propanoic acid, nonyl ester. 1-Docosanol, propanoate. Eicosanyl propionate. Propanoic acid, octadecyl ester. Propanoic acid, tetradecyl ester. Propanoic acid, hexadecyl ester. Propanoic acid, octyl ester. Propanoic acid, dodecyl ester.

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

Sources

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