Chemical Properties of Propanoic acid, octyl ester (CAS 142-60-9)

Propanoic acid, octyl ester

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InChI
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3
InChI Key
CEQGYPPMTKWBIU-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCCCCOC(=O)CC
Molecular Weight1
186.29
CAS
142-60-9
Other Names
  • Octyl propanoate
  • Octyl propionate
  • Propionic acid, octyl ester
  • n-Octyl propanoate
  • n-Octyl propionate
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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 [1263.00; 1301.68]   Show Hide
Inp 1280.60 NIST
Inp Outlier 1301.68 NIST
Inp 1280.00 NIST
Inp 1276.00 NIST
Inp 1277.00 NIST
Inp 1272.00 NIST
Inp 1270.00 NIST
Inp 1267.00 NIST
Inp Outlier 1263.00 NIST
Inp 1282.00 NIST
Inp 1284.00 NIST
Inp 1284.00 NIST
Inp 1286.00 NIST
Inp 1293.00 NIST
Inp 1284.00 NIST
Inp 1282.00 NIST
Inp 1286.00 NIST
Inp 1288.00 NIST
Inp 1293.00 NIST
Inp 1284.00 NIST
I [1522.00; 1557.00]   Show Hide
I 1539.00 NIST
I Outlier 1522.00 NIST
I 1557.00 NIST
I 1555.00 NIST
I 1550.00 NIST
I 1556.00 NIST
I 1539.00 NIST
I 1555.00 NIST
I 1552.00 NIST
I 1542.00 NIST
I 1530.00 NIST
I 1542.00 NIST
Tboil [499.60; 501.08] K Show Hide
Tboil 501.08 ± 0.30 K NIST
Tboil 499.60 ± 1.50 K NIST
Tc 698.36 K Joback Calculated Property
Tfus 231.60 ± 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
Pvap [4.65e-03; 0.30] kPa [293.30; 348.40] Show Hide
Pvap 4.65e-03 kPa 293.30 Vapour ...
Pvap 5.75e-03 kPa 295.70 Vapour ...
Pvap 7.32e-03 kPa 298.40 Vapour ...
Pvap 8.83e-03 kPa 300.30 Vapour ...
Pvap 0.01 kPa 303.30 Vapour ...
Pvap 0.02 kPa 308.30 Vapour ...
Pvap 0.03 kPa 313.40 Vapour ...
Pvap 0.04 kPa 318.50 Vapour ...
Pvap 0.05 kPa 323.40 Vapour ...
Pvap 0.08 kPa 328.50 Vapour ...
Pvap 0.11 kPa 333.30 Vapour ...
Pvap 0.16 kPa 338.30 Vapour ...
Pvap 0.18 kPa 340.30 Vapour ...
Pvap 0.21 kPa 343.00 Vapour ...
Pvap 0.27 kPa 346.40 Vapour ...
Pvap 0.30 kPa 348.40 Vapour ...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [377.62; 521.58] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.56962e+01
Coefficient B-4.58510e+03
Coefficient C-8.00530e+01
Temperature range, min.377.62
Temperature range, max.521.58
Pvap 1.33 kPa 377.62 Calculated Property
Pvap 2.93 kPa 393.62 Calculated Property
Pvap 5.95 kPa 409.61 Calculated Property
Pvap 11.33 kPa 425.61 Calculated Property
Pvap 20.38 kPa 441.60 Calculated Property
Pvap 34.87 kPa 457.60 Calculated Property
Pvap 57.13 kPa 473.59 Calculated Property
Pvap 90.05 kPa 489.59 Calculated Property
Pvap 137.17 kPa 505.58 Calculated Property
Pvap 202.67 kPa 521.58 Calculated Property

Similar Compounds

Propanoic acid, tetradecyl ester. Eicosanyl propionate. Propanoic acid, hexadecyl ester. Propanoic acid, undecyl ester. Propanoic acid, dodecyl ester. Propanoic acid, nonyl ester. Propanoic acid, octadecyl ester. 1-Docosanol, propanoate. Propanoic acid, decyl ester. Propanoic acid, heptyl ester. hexyl-d3 proprionate. Propanoic acid, hexyl ester. Propanoic acid, pentyl ester. Butyric acid, hexadecyl ester. Butyric acid, tetradecyl ester.

Find more compounds similar to Propanoic acid, 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.