Chemical Properties of Octanoic acid (CAS 124-07-2)

Octanoic acid

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InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChI Key
WWZKQHOCKIZLMA-UHFFFAOYSA-N
Formula
C8H16O2
SMILES
CCCCCCCC(=O)O
Molecular Weight1
144.21
CAS
124-07-2
Other Names
  • 1-Heptanecarboxylic acid
  • 1-Octanoic acid
  • C-8 Acid
  • Caprylic acid
  • Emery 657
  • Enantic acid
  • Heptane-1-carboxylic acid
  • Hexacid 898
  • Kyselina kaprylova
  • Lunac 8-95
  • NSC 5024
  • Neo-Fat 8
  • Octic acid
  • Octoic acid
  • Octylic acid
  • Prifac 2901
  • Prifrac 2901
  • n-Caprylic acid
  • n-Octanoic acid
  • n-Octoic acid
  • n-Octylic acid
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4799.90 ± 0.80 kJ/mol NIST
Δcliquid -4797.92 ± 0.54 kJ/mol NIST
Δf -249.26 kJ/mol Joback Calculated Property
Δfgas [-556.60; -554.00] kJ/mol Show Hide
Δfgas -554.50 ± 1.30 kJ/mol NIST
Δfgas -556.60 kJ/mol NIST
Δfgas -554.00 ± 1.10 kJ/mol NIST
Δfgas -556.60 ± 1.10 kJ/mol NIST
Δfliquid -634.80 ± 0.80 kJ/mol NIST
Δfliquid -636.89 ± 0.54 kJ/mol NIST
Δfus 22.16 kJ/mol Joback Calculated Property
Δsub 113.00 ± 6.00 kJ/mol NIST
Δvap [80.30; 82.90] kJ/mol Show Hide
Δvap 81.00 ± 0.60 kJ/mol NIST
Δvap 81.20 kJ/mol NIST
Δvap 82.90 ± 1.00 kJ/mol NIST
Δvap 82.90 ± 1.00 kJ/mol NIST
Δvap 80.30 kJ/mol NIST
logPoct/wat 2.43 Crippen Calculated Property
Pc 2869.00 ± 60.00 kPa NIST
Pc 2700.00 ± 250.00 kPa NIST
Pc 2565.44 ± 90.00 kPa NIST
Tboil [222.50; 512.50] K Show Hide
Tboil 510.20 K NIST
Tboil 512.50 K NIST
Tboil 512.05 ± 1.00 K NIST
Tboil 511.05 ± 1.00 K NIST
Tboil 510.65 ± 2.00 K NIST
Tboil 504.15 ± 4.00 K NIST
Tboil 512.15 ± 2.00 K NIST
Tboil 510.85 ± 1.50 K NIST
Tboil 509.15 ± 2.00 K NIST
Tboil 511.65 ± 2.00 K NIST
Tboil 510.15 ± 3.00 K NIST
Tboil 512.15 ± 3.00 K NIST
Tboil 510.15 ± 3.00 K NIST
Tboil 507.15 ± 4.00 K NIST
Tboil Outlier 222.50 ± 10.00 K NIST
Tboil 408.80 ± 3.00 K NIST
Tboil 512.45 ± 1.00 K NIST
Tboil 510.00 ± 3.00 K NIST
Tboil 510.65 ± 2.00 K NIST
Tboil 509.00 ± 4.00 K NIST
Tboil 510.65 ± 3.00 K NIST
Tboil 509.00 ± 4.00 K NIST
Tboil 509.65 ± 4.00 K NIST
Tboil 506.15 ± 4.00 K NIST
Tc 693.00 ± 1.00 K NIST
Tc 694.00 ± 1.50 K NIST
Tc 697.20 ± 3.00 K NIST
Tfus [288.65; 289.70] K Show Hide
Tfus 289.70 ± 0.05 K NIST
Tfus 289.70 ± 0.50 K NIST
Tfus 288.65 ± 1.50 K NIST
Tfus 289.00 ± 1.50 K NIST
Tfus 289.25 ± 0.50 K NIST
Tfus 289.50 ± 0.20 K NIST
Ttriple 289.66 ± 0.02 K NIST
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 309.45 J/mol×K 528.49 Joback Calculated Property
Cp,liquid 297.92 J/mol×K 298.15 NIST
Cp,liquid 304.60 J/mol×K 305.0 NIST
η 0.00 Pa×s 528.49 Joback Calculated Property
ΔfusH 21.38 kJ/mol 289.5 NIST
ΔfusH 21.38 kJ/mol 289.7 NIST
ΔvapH [66.60; 85.30] kJ/mol [290.00; 465.50] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 80.00 kJ/mol 290.0 NIST
ΔvapH 85.30 kJ/mol 313.5 NIST
ΔvapH 79.80 ± 0.60 kJ/mol 320.0 NIST
ΔvapH 70.00 kJ/mol 407.0 NIST
ΔvapH 74.40 kJ/mol 436.0 NIST
ΔvapH 66.60 kJ/mol 465.5 NIST
ΔfusS 73.90 J/mol×K 289.5 NIST

Molecular Descriptors

Joback and Reid Groups
-OH (alcohol) 1
-CH3 1
-CH2- 6
>C=O (nonring) 1

Similar Compounds

lead(2+) heptadecanoate. Lead(II) pentadecanoate. Cadmium(II) n-tetradecanoate. lead(2+) octanoate. Nonadecanoic acid. Docosanoic acid. Hexacosanoic acid. Hexadecanoic acid. Barium tridecanoate. 10-Hydroxydecanoic acid. Cadmium(II) n-octadecanoate. Pentadecanoic acid. Tetradecanedioic acid. Triacontanoic acid. 13-Hydroxytridecanoic acid.

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