Chemical Properties of Propyl octanoate (CAS 624-13-5)

Propyl octanoate

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InChI
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3
InChI Key
IDHBLVYDNJDWNO-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCCCC(=O)OCCC
Molecular Weight1
186.29
CAS
624-13-5
Other Names
  • Octanoic acid, propyl ester
  • Propyl caprylate
  • n-Propyl n-octanoate
  • n-propyl octanoate
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Physical Properties

Property Value Unit Source
Δf -192.18 kJ/mol Joback Calculated Property
Δfgas -515.17 kJ/mol Joback Calculated Property
Δfus 27.03 kJ/mol Joback Calculated Property
Δvap 49.24 kJ/mol Joback Calculated Property
log10WS -3.29 Crippen Calculated Property
logPoct/wat 3.300 Crippen Calculated Property
McVol 173.290 ml/mol McGowan Calculated Property
Pc 2014.51 kPa Joback Calculated Property
Inp [1232.00; 1296.00]   Show Hide
Inp 1274.00 NIST
Inp 1277.00 NIST
Inp 1277.00 NIST
Inp 1277.00 NIST
Inp 1277.00 NIST
Inp 1290.00 NIST
Inp 1292.00 NIST
Inp 1270.00 NIST
Inp 1274.00 NIST
Inp 1277.00 NIST
Inp 1290.00 NIST
Inp 1294.00 NIST
Inp 1296.00 NIST
Inp 1282.00 NIST
Inp Outlier 1232.00 NIST
Inp 1234.00 NIST
Inp 1234.00 NIST
Inp 1292.00 NIST
Inp 1277.00 NIST
Inp 1277.00 NIST
Inp 1290.00 NIST
Inp 1234.00 NIST
I [1498.00; 1539.00]   Show Hide
I 1526.00 NIST
I 1514.00 NIST
I 1530.00 NIST
I 1523.00 NIST
I 1504.00 NIST
I 1508.00 NIST
I 1507.00 NIST
I 1510.00 NIST
I 1507.00 NIST
I 1510.00 NIST
I 1509.00 NIST
I 1498.00 NIST
I Outlier 1539.00 NIST
I 1509.00 NIST
I 1504.00 NIST
I 1510.00 NIST
Tboil [497.90; 499.58] K Show Hide
Tboil 499.58 ± 0.30 K NIST
Tboil 497.90 ± 2.00 K NIST
Tc 698.36 K Joback Calculated Property
Tfus [227.00; 228.20] K Show Hide
Tfus 228.20 ± 0.80 K NIST
Tfus 227.00 ± 0.50 K NIST
Vc 0.675 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [415.24; 496.57] J/mol×K [527.37; 698.36] Show Hide
Cp,gas 415.24 J/mol×K 527.37 Joback Calculated Property
Cp,gas 430.19 J/mol×K 555.87 Joback Calculated Property
Cp,gas 444.58 J/mol×K 584.37 Joback Calculated Property
Cp,gas 458.41 J/mol×K 612.87 Joback Calculated Property
Cp,gas 471.67 J/mol×K 641.36 Joback Calculated Property
Cp,gas 484.39 J/mol×K 669.86 Joback Calculated Property
Cp,gas 496.57 J/mol×K 698.36 Joback Calculated Property
η [0.0002056; 0.0032030] Pa×s [285.89; 527.37] Show Hide
η 0.0032030 Pa×s 285.89 Joback Calculated Property
η 0.0015281 Pa×s 326.14 Joback Calculated Property
η 0.0008577 Pa×s 366.38 Joback Calculated Property
η 0.0005398 Pa×s 406.63 Joback Calculated Property
η 0.0003692 Pa×s 446.88 Joback Calculated Property
η 0.0002689 Pa×s 487.12 Joback Calculated Property
η 0.0002056 Pa×s 527.37 Joback Calculated Property
ΔvapH [58.20; 58.80] kJ/mol [384.50; 421.50] Show Hide
ΔvapH 58.20 kJ/mol 384.50 NIST
ΔvapH 58.80 kJ/mol 421.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [376.64; 521.92] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.55685e+01
Coefficient B-4.53255e+03
Coefficient C-8.00250e+01
Temperature range, min.376.64
Temperature range, max.521.92
Pvap 1.33 kPa 376.64 Calculated Property
Pvap 2.93 kPa 392.78 Calculated Property
Pvap 5.97 kPa 408.92 Calculated Property
Pvap 11.38 kPa 425.07 Calculated Property
Pvap 20.48 kPa 441.21 Calculated Property
Pvap 35.03 kPa 457.35 Calculated Property
Pvap 57.34 kPa 473.49 Calculated Property
Pvap 90.29 kPa 489.64 Calculated Property
Pvap 137.35 kPa 505.78 Calculated Property
Pvap 202.64 kPa 521.92 Calculated Property

Similar Compounds

Heneicosanoic acid, propyl ester. Hexadecanoic acid, propyl ester. Propyl nonadecanoate. Hexacosanoic acid, propyl ester. propyl octacosanoate. n-Propyl heptadecanoate. propyl dotriacontanoate. propyl octanoate-d15. propyl triacontanoate. Tetracosanoic acid, propyl ester. Decanoic acid, propyl ester. Propyl undecanoate. Nonanoic acid, propyl ester. propyl hentriacontanoate. Tricosanoic acid, propyl ester.

Find more compounds similar to Propyl octanoate.

Sources

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