Chemical Properties of 4-Methyloctanoic acid (CAS 54947-74-9)

4-Methyloctanoic acid

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InChI
InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChI Key
LEGGANXCVQPIAI-UHFFFAOYSA-N
Formula
C9H18O2
SMILES
CCCCC(C)CCC(=O)O
Molecular Weight1
158.24
CAS
54947-74-9
Other Names
  • Octanoic acid, 4-methyl-
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Physical Properties

Property Value Unit Source
Δf -243.28 kJ/mol Joback Calculated Property
Δfgas -499.18 kJ/mol Joback Calculated Property
Δfus 21.23 kJ/mol Joback Calculated Property
Δvap 58.66 kJ/mol Joback Calculated Property
log10WS -2.45 Crippen Calculated Property
logPoct/wat 2.678 Crippen Calculated Property
McVol 145.110 ml/mol McGowan Calculated Property
Pc 2715.50 kPa Joback Calculated Property
I [2083.00; 2131.00]   Show Hide
I 2097.00 NIST
I 2131.00 NIST
I 2111.00 NIST
I 2083.00 NIST
I 2111.00 NIST
Tboil 550.93 K Joback Calculated Property
Tc 721.77 K Joback Calculated Property
Tfus 286.94 K Joback Calculated Property
Vc 0.558 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [355.57; 419.88] J/mol×K [550.93; 721.77] Show Hide
Cp,gas 355.57 J/mol×K 550.93 Joback Calculated Property
Cp,gas 367.51 J/mol×K 579.40 Joback Calculated Property
Cp,gas 378.95 J/mol×K 607.88 Joback Calculated Property
Cp,gas 389.89 J/mol×K 636.35 Joback Calculated Property
Cp,gas 400.35 J/mol×K 664.82 Joback Calculated Property
Cp,gas 410.35 J/mol×K 693.29 Joback Calculated Property
Cp,gas 419.88 J/mol×K 721.77 Joback Calculated Property
η [0.0001171; 0.0229838] Pa×s [286.94; 550.93] Show Hide
η 0.0229838 Pa×s 286.94 Joback Calculated Property
η 0.0053119 Pa×s 330.94 Joback Calculated Property
η 0.0017314 Pa×s 374.94 Joback Calculated Property
η 0.0007142 Pa×s 418.94 Joback Calculated Property
η 0.0003486 Pa×s 462.93 Joback Calculated Property
η 0.0001927 Pa×s 506.93 Joback Calculated Property
η 0.0001171 Pa×s 550.93 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [395.72; 549.25] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54818e+01
Coefficient B-4.72238e+03
Coefficient C-8.49180e+01
Temperature range, min.395.72
Temperature range, max.549.25
Pvap 1.33 kPa 395.72 Calculated Property
Pvap 2.94 kPa 412.78 Calculated Property
Pvap 5.99 kPa 429.84 Calculated Property
Pvap 11.42 kPa 446.90 Calculated Property
Pvap 20.55 kPa 463.96 Calculated Property
Pvap 35.14 kPa 481.01 Calculated Property
Pvap 57.50 kPa 498.07 Calculated Property
Pvap 90.46 kPa 515.13 Calculated Property
Pvap 137.50 kPa 532.19 Calculated Property
Pvap 202.65 kPa 549.25 Calculated Property

Similar Compounds

4-Ethyloctanoic acid. Hexanoic acid, 4-methyl-. Cyclohexanepropanoic acid. Cyclopentanepropanoic acid. 13-methyltetradecanoic acid. 14-methylpentadecanoic acid. 11-methyldodecanoic acid. 15-methylhexadecanoic acid. isopentadecanoic acid. Isoundecanoic acid. Tridecanoic acid, 12-methyl. 5-methylhexanoic acid. Cyclopentaneundecanoic acid. Pentanoic acid, 4-methyl-. Decanoic acid, 3-methyl-.

Find more compounds similar to 4-Methyloctanoic acid.

Sources

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