Chemical Properties of Pentanoic acid (CAS 109-52-4)

Pentanoic acid

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InChI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CCCCC(=O)O
Molecular Weight1
102.13
CAS
109-52-4
Other Names
  • 1-Butanecarboxylic acid
  • 1-Pentanoic acid
  • Butanecarboxylic acid
  • Kyselina valerova
  • NA 1760
  • NSC 406833
  • Propylacetic acid
  • Valerianic acid
  • Valeric acid
  • Valeric acid, n-
  • Valeric acid, normal
  • n-C4H9COOH
  • n-Pentanoic acid
  • n-Valeric acid
Sources

Physical Properties

Property Value Unit Source
Δcliquid [-2850.10; -2833.40] kJ/mol Show Hide
Δcliquid -2837.80 ± 0.70 kJ/mol NIST
Δcliquid -2836.50 ± 0.67 kJ/mol NIST
Δcliquid -2850.10 ± 5.90 kJ/mol NIST
Δcliquid -2833.40 ± 1.30 kJ/mol NIST
Δcsolid -2838.80 kJ/mol NIST
Δf -274.52 kJ/mol Joback Calculated Property
Δfgas [-500.90; -477.30] kJ/mol Show Hide
Δfgas -496.50 ± 4.10 kJ/mol NIST
Δfgas -497.80 ± 4.10 kJ/mol NIST
Δfgas -491.00 kJ/mol NIST
Δfgas -497.80 ± 4.10 kJ/mol NIST
Δfgas -484.20 ± 7.10 kJ/mol NIST
Δfgas -477.30 kJ/mol NIST
Δfgas -484.20 ± 7.10 kJ/mol NIST
Δfgas -500.90 ± 4.20 kJ/mol NIST
Δfliquid [-563.30; -546.60] kJ/mol Show Hide
Δfliquid -558.90 ± 0.70 kJ/mol NIST
Δfliquid -560.24 ± 0.67 kJ/mol NIST
Δfliquid -560.20 ± 0.70 kJ/mol NIST
Δfliquid -546.60 ± 5.90 kJ/mol NIST
Δfliquid -563.30 ± 1.30 kJ/mol NIST
Δfus 14.39 kJ/mol Joback Calculated Property
Δvap [62.00; 69.27] kJ/mol Show Hide
Δvap 65.40 ± 2.50 kJ/mol NIST
Δvap 63.00 ± 9.50 kJ/mol NIST
Δvap 65.90 kJ/mol NIST
Δvap 62.00 ± 3.00 kJ/mol NIST
Δvap 62.40 ± 3.00 kJ/mol NIST
Δvap 69.27 kJ/mol NIST
IE 10.53 eV NIST
logPoct/wat 1.261 Crippen Calculated Property
Pc [3564.40; 3630.00] kPa Show Hide
Pc 3630.00 ± 30.00 kPa NIST
Pc 3628.00 ± 40.00 kPa NIST
Pc 3600.00 ± 100.00 kPa NIST
Pc 3564.40 ± 90.00 kPa NIST
gas 439.82 ± 0.63 J/mol×K NIST
liquid 259.83 J/mol×K NIST
Tboil [336.15; 478.05] K Show Hide
Tboil 458.20 K NIST
Tboil 458.65 K NIST
Tboil 459.05 ± 0.30 K NIST
Tboil 460.20 ± 0.50 K NIST
Tboil Outlier 400.65 K NIST
Tboil 459.00 ± 2.00 K NIST
Tboil 459.40 ± 0.50 K NIST
Tboil 458.15 ± 2.00 K NIST
Tboil 459.85 ± 0.60 K NIST
Tboil 458.55 ± 1.00 K NIST
Tboil 460.15 ± 1.00 K NIST
Tboil 460.15 ± 1.00 K NIST
Tboil 459.15 ± 1.00 K NIST
Tboil 448.15 ± 6.00 K NIST
Tboil 458.75 ± 0.60 K NIST
Tboil 459.35 ± 0.50 K NIST
Tboil 456.00 ± 6.00 K NIST
Tboil 459.50 ± 0.30 K NIST
Tboil 459.50 ± 0.60 K NIST
Tboil 457.65 ± 1.50 K NIST
Tboil 459.50 ± 0.30 K NIST
Tboil 478.05 K NIST
Tboil 459.50 ± 0.20 K NIST
Tboil 459.49 ± 0.30 K NIST
Tboil 459.15 ± 0.50 K NIST
Tboil 457.65 ± 4.00 K NIST
Tboil 458.00 ± 4.00 K NIST
Tboil 446.15 ± 6.00 K NIST
Tboil 457.65 ± 1.00 K NIST
Tboil 460.15 ± 0.50 K NIST
Tboil 458.65 ± 2.00 K NIST
Tboil 458.15 ± 2.00 K NIST
Tboil 448.00 ± 3.00 K NIST
Tboil Outlier 336.15 ± 3.00 K NIST
Tboil 457.85 ± 0.60 K NIST
Tboil 457.55 ± 0.20 K NIST
Tboil 458.25 ± 1.00 K NIST
Tboil 459.85 ± 1.50 K NIST
Tboil 458.55 ± 1.00 K NIST
Tboil 410.85 ± 6.00 K NIST
Tboil 458.15 ± 2.00 K NIST
Tc [637.20; 652.02] K Show Hide
Tc 637.20 ± 1.00 K NIST
Tc 637.20 ± 1.00 K NIST
Tc 639.90 ± 0.60 K NIST
Tc 643.00 ± 2.00 K NIST
Tc 652.01 ± 2.50 K NIST
Tc 652.02 ± 6.00 K NIST
Tfus [238.40; 239.70] K Show Hide
Tfus 239.15 ± 2.00 K NIST
Tfus 239.70 ± 0.10 K NIST
Tfus 238.40 ± 0.60 K NIST
Tfus 238.70 ± 1.50 K NIST
Tfus 238.65 ± 0.40 K NIST
Ttriple 239.49 ± 0.06 K NIST
Vc 0.341 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 183.75 J/mol×K 459.85 Joback Calculated Property
Cp,liquid 197.00 J/mol×K 298.15 NIST
Cp,liquid 210.33 J/mol×K 298.15 NIST
η 0.0002422 Pa×s 459.85 Joback Calculated Property
ΔfusH 14.16 kJ/mol 239.49 NIST
ΔfusH 14.16 kJ/mol 239.5 NIST
ΔfusH 14.16 kJ/mol 239.5 NIST
ΔvapH 57.90 kJ/mol 419.0 NIST
ΔvapH 58.00 kJ/mol 449.0 NIST
ΔfusS 59.13 J/mol×K 239.49 NIST

Molecular Descriptors

Joback and Reid Groups
-OH (alcohol) 1
-CH3 1
-CH2- 3
>C=O (nonring) 1

Similar Compounds

Lithium n-pentanoate. Zinc(II) n-hexanoate. Lithium n-hexanoate. Thallium hexanoate. Barium caproate. Hexanoic acid. lead dihexanoate. Pentanedioic acid. Butanoic acid, sodium salt. Lithium butyrate. potassium butyrate. Butanoic acid. Pentanoic acid, 4-methyl-. 6-Hydroxycaproic acid. Hexanedioic acid.

Find more compounds similar to Pentanoic acid.

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