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

Pentanoic acid

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-Pentanoic acid
  • 1-butanecarboxylic acid
  • Butanecarboxylic acid
  • Kyselina valerova
  • NA 1760
  • NSC 406833
  • Propylacetic acid
  • Valerianic acid
  • Valeric acid, n-
  • Valeric acid, normal
  • n-C4H9COOH
  • n-pentanoic acid
  • n-valeric acid
  • valeric acid
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Physical Properties

Property Value Unit Source
ω 0.6536 Relay (1.0) Calculated Property
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 -357.40 kJ/mol KDB
Δfgas [-500.90; -477.30] kJ/mol Show Hide
Δfgas -490.70 kJ/mol KDB
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 18.85 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
log10WS -0.61 Relay (1.0) Calculated Property
logPoct/wat 1.261 Crippen Calculated Property
McVol 88.750 ml/mol McGowan Calculated Property
NFPA Fire 1 KDB
NFPA Health 2 KDB
Pc [3564.40; 3630.00] kPa Show Hide
Pc 3580.00 kPa KDB
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
ρc 300.27 ± 6.13 kg/m3 NIST
Inp [137.00; 938.00]   Show Hide
Inp 883.00 NIST
Inp 879.00 NIST
Inp 925.00 NIST
Inp 933.00 NIST
Inp 894.00 NIST
Inp 921.00 NIST
Inp 908.00 NIST
Inp 921.00 NIST
Inp 902.00 NIST
Inp 933.30 NIST
Inp 911.00 NIST
Inp 926.00 NIST
Inp 938.00 NIST
Inp 894.00 NIST
Inp 925.00 NIST
Inp 924.00 NIST
Inp 897.00 NIST
Inp 898.00 NIST
Inp 887.00 NIST
Inp 920.00 NIST
Inp 893.00 NIST
Inp 906.00 NIST
Inp 906.00 NIST
Inp 906.00 NIST
Inp 893.00 NIST
Inp 922.00 NIST
Inp 867.00 NIST
Inp 931.00 NIST
Inp 911.00 NIST
Inp 875.00 NIST
Inp 904.00 NIST
Inp 880.00 NIST
Inp 892.00 NIST
Inp 934.00 NIST
Inp 875.00 NIST
Inp 884.00 NIST
Inp 911.00 NIST
Inp 928.00 NIST
Inp 911.00 NIST
Inp 879.00 NIST
Inp 911.00 NIST
Inp 911.00 NIST
Inp 915.00 NIST
Inp 921.00 NIST
Inp 878.00 NIST
Inp 878.00 NIST
Inp 900.00 NIST
Inp 872.00 NIST
Inp 904.00 NIST
Inp 881.00 NIST
Inp 911.00 NIST
Inp 888.00 NIST
Inp 888.00 NIST
Inp 885.00 NIST
Inp 900.00 NIST
Inp Outlier 137.00 NIST
Inp 897.00 NIST
Inp 906.00 NIST
Inp 867.00 NIST
Inp 880.00 NIST
Inp 933.30 NIST
Inp 925.00 NIST
Inp 883.00 NIST
Inp Outlier 137.00 NIST
Inp 875.00 NIST
Inp 879.00 NIST
Inp 878.00 NIST
Inp 881.00 NIST
Inp 900.00 NIST
I [1685.00; 1780.00]   Show Hide
I Outlier 1685.00 NIST
I 1733.00 NIST
I 1744.00 NIST
I 1734.00 NIST
I 1723.00 NIST
I 1730.00 NIST
I 1725.00 NIST
I Outlier 1686.00 NIST
I 1762.00 NIST
I 1713.00 NIST
I 1720.00 NIST
I 1720.00 NIST
I 1746.00 NIST
I 1755.00 NIST
I 1718.00 NIST
I 1708.00 NIST
I 1720.00 NIST
I 1719.00 NIST
I 1756.00 NIST
I 1749.00 NIST
I 1750.00 NIST
I Outlier 1780.00 NIST
I 1757.00 NIST
I 1749.00 NIST
I 1750.00 NIST
I 1749.00 NIST
I 1736.00 NIST
I 1706.00 NIST
I 1729.00 NIST
I 1730.00 NIST
I 1766.00 NIST
I 1729.00 NIST
I 1745.00 NIST
I 1734.00 NIST
I 1724.00 NIST
I 1732.00 NIST
I 1732.00 NIST
I 1734.00 NIST
I 1719.00 NIST
I 1732.00 NIST
I 1753.00 NIST
I 1708.00 NIST
I 1707.00 NIST
I 1743.00 NIST
I 1723.00 NIST
I 1752.00 NIST
I 1716.00 NIST
I 1733.00 NIST
I 1720.00 NIST
I 1755.00 NIST
I 1770.00 NIST
I 1751.00 NIST
I 1718.00 NIST
I 1756.00 NIST
I 1727.00 NIST
I 1727.00 NIST
I 1753.00 NIST
I 1756.00 NIST
I 1751.00 NIST
I 1766.00 NIST
I 1743.00 NIST
I 1730.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1726.00 NIST
I 1726.00 NIST
I 1712.00 NIST
I 1700.00 NIST
I 1698.00 NIST
I 1738.00 NIST
I 1740.00 NIST
I 1723.00 NIST
I 1725.00 NIST
I 1743.00 NIST
I 1730.00 NIST
I 1730.00 NIST
I 1733.00 NIST
I 1730.00 NIST
I 1740.00 NIST
I 1749.00 NIST
I 1736.00 NIST
I Outlier 1689.00 NIST
I 1698.00 NIST
I Outlier 1689.00 NIST
I 1747.00 NIST
I 1720.00 NIST
I 1737.00 NIST
I 1750.00 NIST
I 1768.00 NIST
I 1734.00 NIST
I 1734.00 NIST
I 1748.00 NIST
I 1733.00 NIST
I 1738.00 NIST
I 1745.00 NIST
I 1740.00 NIST
I 1721.00 NIST
I 1721.00 NIST
I 1720.00 NIST
I 1720.00 NIST
I Outlier 1772.00 NIST
I 1746.00 NIST
I 1731.00 NIST
I 1763.00 NIST
I 1747.00 NIST
I 1720.00 NIST
I 1753.00 NIST
I 1721.00 NIST
I 1732.00 NIST
I 1747.00 NIST
I 1706.00 NIST
I 1737.00 NIST
I 1748.00 NIST
I 1721.00 NIST
I 1746.00 NIST
I 1753.00 NIST
I Outlier 1685.00 NIST
I 1733.00 NIST
I 1725.00 NIST
I 1720.00 NIST
I Outlier 1780.00 NIST
I 1736.00 NIST
I 1730.00 NIST
I 1724.00 NIST
I 1732.00 NIST
I 1723.00 NIST
I 1716.00 NIST
I 1751.00 NIST
I 1712.00 NIST
I Outlier 1689.00 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 459.15 K Ternary liquid-liquid phase equilibria of (water-carboxylic acid-1-undecanol) systems at 298.15 K
Tboil 459.30 K KDB
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 643.00 K KDB
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 239.00 K KDB
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; 239.49] K Show Hide
Ttriple 239.49 ± 0.06 K NIST
Ttriple 239.49 ± 0.06 K NIST
Vc 0.340 m3/kmol KDB
Zc 0.2276740 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [185.97; 232.76] J/mol×K [459.51; 650.69] Show Hide
Cp,gas 185.97 J/mol×K 459.51 Joback Calculated Property
Cp,gas 194.78 J/mol×K 491.37 Joback Calculated Property
Cp,gas 203.16 J/mol×K 523.24 Joback Calculated Property
Cp,gas 211.14 J/mol×K 555.10 Joback Calculated Property
Cp,gas 218.72 J/mol×K 586.97 Joback Calculated Property
Cp,gas 225.92 J/mol×K 618.83 Joback Calculated Property
Cp,gas 232.76 J/mol×K 650.69 Joback Calculated Property
Cp,liquid [197.00; 210.33] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 197.00 J/mol×K 298.15 NIST
Cp,liquid 210.33 J/mol×K 298.15 NIST
η [0.0003047; 0.0016360] Pa×s [306.71; 459.51] Show Hide
η 0.0016360 Pa×s 306.71 Joback Calculated Property
η 0.0011104 Pa×s 332.18 Joback Calculated Property
η 0.0007965 Pa×s 357.64 Joback Calculated Property
η 0.0005971 Pa×s 383.11 Joback Calculated Property
η 0.0004640 Pa×s 408.58 Joback Calculated Property
η 0.0003714 Pa×s 434.04 Joback Calculated Property
η 0.0003047 Pa×s 459.51 Joback Calculated Property
ΔfusH [14.16; 14.16] kJ/mol [239.49; 239.50] Show Hide
ΔfusH 14.16 kJ/mol 239.49 NIST
ΔfusH 14.16 kJ/mol 239.49 NIST
ΔfusH 14.16 kJ/mol 239.50 NIST
ΔfusH 14.16 kJ/mol 239.50 NIST
ΔvapH [57.90; 58.00] kJ/mol [419.00; 449.00] Show Hide
ΔvapH 57.90 kJ/mol 419.00 NIST
ΔvapH 58.00 kJ/mol 449.00 NIST
Pvap [14.56; 85.03] kPa [403.15; 451.92] Show Hide
Pvap 14.56 kPa 403.15 Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap 19.59 kPa 410.71 Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap 24.63 kPa 417.07 Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap 29.65 kPa 422.19 Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap 39.72 kPa 430.08 Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap 49.78 kPa 436.48 Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap 59.85 kPa 441.89 Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap 69.92 kPa 446.45 Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap 74.96 kPa 448.48 Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap 79.99 kPa 450.35 Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap 85.03 kPa 451.92 Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
n0 [1.40470; 1.40870]   [293.15; 303.15] Show Hide
n0 1.40870 293.15 Vapour liquid equilibrium of carboxylic acid systems: Propionic acid + valeric acid and isobutyric acid + valeric acid
n0 1.40820 293.15 Vapour-liquid equilibrium of propionic acid + caproic acid, isobutyric acid + caproic acid, valeric acid + caproic acid and caproic acid + enanthoic acid binary mixtures
n0 1.40470 303.15 Liquid liquid equilibria measurements of ternary systems (acetonitrile + a carboxylic acid + dodecane) at 303.15 K
n0 1.40470 303.15 Phase equilibria measurements of ternary mixtures (sulfolane + a carboxylic acid + pentane) at 303.15 K
ρl [812.10; 939.70] kg/m3 [293.00; 428.20] Show Hide
ρl 939.00 kg/m3 293.00 KDB
ρl 939.41 kg/m3 293.15 Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures
ρl 939.70 kg/m3 293.40 Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl 935.04 kg/m3 298.00 Optimization of liquid-liquid equilibria of the type 2 ternary systems (water + valeric acid + aromatic solvent): Modeling through SERLAS
ρl 934.75 kg/m3 298.15 Liquid-liquid equilibria and density data for pseudoternary systems of refined soybean oil + (hexanal, or heptanal, or butyric acid, or valeric acid, or caproic acid, or caprylic acid) + dimethyl sulfoxide at 298.15 K
ρl 934.85 kg/m3 298.15 Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures
ρl 930.29 kg/m3 303.15 Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures
ρl 925.73 kg/m3 308.15 Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures
ρl 922.30 kg/m3 312.10 Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl 921.16 kg/m3 313.15 Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures
ρl 904.10 kg/m3 332.10 Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl 885.40 kg/m3 352.20 Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl 870.60 kg/m3 368.10 Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl 851.00 kg/m3 388.40 Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl 831.90 kg/m3 408.30 Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl 812.10 kg/m3 428.20 Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ΔfusS [59.13; 59.13] J/mol×K [239.49; 239.49] Show Hide
ΔfusS 59.13 J/mol×K 239.49 NIST
ΔfusS 59.13 J/mol×K 239.49 NIST
γ [0.03; 0.03] N/m [293.15; 308.15] Show Hide
γ 0.03 N/m 293.15 Apparent Molar Volume and Surface Tension of Dilute Aqueous Solutions of Carboxylic Acids
γ 0.03 N/m 298.15 Apparent Molar Volume and Surface Tension of Dilute Aqueous Solutions of Carboxylic Acids
γ 0.03 N/m 303.15 Apparent Molar Volume and Surface Tension of Dilute Aqueous Solutions of Carboxylic Acids
γ 0.03 N/m 308.15 Apparent Molar Volume and Surface Tension of Dilute Aqueous Solutions of Carboxylic Acids

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
298.15 100.00 935.1
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [349.70; 485.04] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.55964e+01
Coefficient B-4.24155e+03
Coefficient C-7.26340e+01
Temperature range, min.349.70
Temperature range, max.485.04
Pvap 1.33 kPa 349.70 Calculated Property
Pvap 2.93 kPa 364.74 Calculated Property
Pvap 5.97 kPa 379.78 Calculated Property
Pvap 11.37 kPa 394.81 Calculated Property
Pvap 20.46 kPa 409.85 Calculated Property
Pvap 35.00 kPa 424.89 Calculated Property
Pvap 57.30 kPa 439.93 Calculated Property
Pvap 90.24 kPa 454.96 Calculated Property
Pvap 137.32 kPa 470.00 Calculated Property
Pvap 202.65 kPa 485.04 Calculated Property
Pvap [5.85e-05; 3576.21] kPa [239.15; 651.00] KDB Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.38077e+01
Coefficient B-9.69682e+03
Coefficient C-7.85615e+00
Coefficient D3.91183e-07
Temperature range, min.239.15
Temperature range, max.651.00
Pvap 5.85e-05 kPa 239.15 Calculated Property
Pvap 0.01 kPa 284.91 Calculated Property
Pvap 0.35 kPa 330.67 Calculated Property
Pvap 4.53 kPa 376.43 Calculated Property
Pvap 30.44 kPa 422.19 Calculated Property
Pvap 130.21 kPa 467.96 Calculated Property
Pvap 403.27 kPa 513.72 Calculated Property
Pvap 984.69 kPa 559.48 Calculated Property
Pvap 2010.16 kPa 605.24 Calculated Property
Pvap 3576.21 kPa 651.00 Calculated Property

Similar Compounds

Hexanoic acid. Heptanoic acid. Triacontanoic acid. Dodecanoic acid. Octanoic acid. Octadecanoic acid. Hexacosanoic acid. n-Decanoic acid. Eicosanoic acid. Nonadecanoic acid. Docosanoic acid. Undecanoic acid. OCTACOSANOIC ACID. Melissic acid. Pentadecanoic acid.

Find more compounds similar to Pentanoic acid.

Mixtures

Find more mixtures with Pentanoic acid.

Sources

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