Chemical Properties of Heptanoic acid (CAS 111-14-8)

Heptanoic acid

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InChI
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChI Key
MNWFXJYAOYHMED-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CCCCCCC(=O)O
Molecular Weight1
130.18
CAS
111-14-8
Other Names
  • 1-Heptanoic acid
  • 1-Hexanecarboxylic acid
  • Enanthic acid
  • Enanthylic acid
  • Hepthlic acid
  • Heptoic acid
  • Heptylic acid
  • Hexacid C-7
  • N-OENANTHIC ACID
  • NSC 2192
  • Oenanthic acid
  • Oenanthylic acid
  • n-Heptanoic acid
  • n-Heptoic acid
  • n-Heptylic acid
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Physical Properties

Property Value Unit Source
Δcliquid [-4146.90; -4144.00] kJ/mol Show Hide
Δcliquid -4146.90 ± 0.90 kJ/mol NIST
Δcliquid -4144.00 ± 0.59 kJ/mol NIST
Δf -257.68 kJ/mol Joback Calculated Property
Δfgas [-539.50; -536.50] kJ/mol Show Hide
Δfgas -536.50 ± 1.70 kJ/mol NIST
Δfgas -539.50 ± 1.60 kJ/mol NIST
Δfgas -539.50 ± 1.60 kJ/mol NIST
Δfliquid [-611.49; -608.50] kJ/mol Show Hide
Δfliquid -608.50 ± 0.90 kJ/mol NIST
Δfliquid -611.49 ± 0.59 kJ/mol NIST
Δfus 19.57 kJ/mol Joback Calculated Property
Δvap [72.00; 75.70] kJ/mol Show Hide
Δvap 72.90 ± 0.80 kJ/mol NIST
Δvap 75.70 kJ/mol NIST
Δvap 72.00 ± 1.50 kJ/mol NIST
Δvap 72.00 ± 1.50 kJ/mol NIST
log10WS -1.85 Crippen Calculated Property
logPoct/wat 2.041 Crippen Calculated Property
McVol 116.930 ml/mol McGowan Calculated Property
Pc [2829.63; 3161.00] kPa Show Hide
Pc 3161.00 ± 80.00 kPa NIST
Pc 2880.00 ± 100.00 kPa NIST
Pc 2829.63 ± 90.00 kPa NIST
Inp [176.75; 1112.00]   Show Hide
Inp 1083.00 NIST
Inp 1065.00 NIST
Inp 1083.00 NIST
Inp 1078.00 NIST
Inp 1076.00 NIST
Inp 1078.00 NIST
Inp 1091.00 NIST
Inp 1068.00 NIST
Inp 1071.00 NIST
Inp 1080.00 NIST
Inp 1083.00 NIST
Inp 1074.00 NIST
Inp 1103.00 NIST
Inp 1073.00 NIST
Inp 1076.00 NIST
Inp 1109.00 NIST
Inp 1062.00 NIST
Inp 1085.00 NIST
Inp 1085.00 NIST
Inp 1063.00 NIST
Inp 1112.00 NIST
Inp 1098.00 NIST
Inp 1078.00 NIST
Inp 1097.00 NIST
Inp 1051.00 NIST
Inp 1091.00 NIST
Inp 1092.00 NIST
Inp 1064.00 NIST
Inp 1091.00 NIST
Inp 1098.00 NIST
Inp 1083.00 NIST
Inp 1073.00 NIST
Inp 1073.00 NIST
Inp 1078.00 NIST
Inp 1073.00 NIST
Inp 1108.00 NIST
Inp 1065.00 NIST
Inp 1076.00 NIST
Inp 1049.00 NIST
Inp 1067.00 NIST
Inp 1083.00 NIST
Inp 1069.00 NIST
Inp 1078.00 NIST
Inp 1078.00 NIST
Inp 1080.00 NIST
Inp 1070.00 NIST
Inp Outlier 176.75 NIST
Inp Outlier 177.80 NIST
Inp Outlier 176.75 NIST
I [1900.00; 2000.00]   Show Hide
I 1960.00 NIST
I 1930.00 NIST
I 1946.00 NIST
I 1950.00 NIST
I 1967.00 NIST
I 1918.00 NIST
I 1971.00 NIST
I 1947.00 NIST
I 1918.00 NIST
I 1956.00 NIST
I 1965.00 NIST
I 1968.00 NIST
I Outlier 1997.00 NIST
I 1965.00 NIST
I 1966.00 NIST
I 1965.00 NIST
I 1954.00 NIST
I 1953.00 NIST
I 1953.00 NIST
I 1943.00 NIST
I 1950.00 NIST
I 1916.00 NIST
I 1939.00 NIST
I 1946.00 NIST
I 1936.00 NIST
I 1958.00 NIST
I 1915.00 NIST
I 1934.00 NIST
I 1927.00 NIST
I 1924.00 NIST
I 1932.00 NIST
I 1962.00 NIST
I 1962.00 NIST
I 1986.00 NIST
I 1988.00 NIST
I 1927.00 NIST
I 1949.00 NIST
I 1934.00 NIST
I 1970.00 NIST
I 1968.00 NIST
I 1955.00 NIST
I 1976.00 NIST
I 1972.00 NIST
I 1962.00 NIST
I Outlier 2000.00 NIST
I 1963.00 NIST
I 1952.00 NIST
I 1957.00 NIST
I 1957.00 NIST
I 1981.00 NIST
I 1958.00 NIST
I 1962.00 NIST
I Outlier 1904.00 NIST
I Outlier 1900.00 NIST
I 1941.00 NIST
I 1950.00 NIST
I 1935.00 NIST
I Outlier 1900.00 NIST
I 1923.00 NIST
I 1933.00 NIST
I 1930.00 NIST
I 1925.00 NIST
I 1950.00 NIST
I 1956.00 NIST
I 1936.00 NIST
I 1966.00 NIST
I 1965.00 NIST
I 1975.00 NIST
I 1963.00 NIST
I 1990.00 NIST
I 1952.00 NIST
I 1950.00 NIST
I 1955.00 NIST
I 1976.00 NIST
I 1924.00 NIST
I 1928.00 NIST
I 1913.00 NIST
I 1918.00 NIST
I 1977.00 NIST
I 1925.00 NIST
I 1942.00 NIST
I 1963.00 NIST
I 1916.00 NIST
I 1935.00 NIST
I 1960.00 NIST
I 1918.00 NIST
I 1965.00 NIST
I 1950.00 NIST
I 1952.00 NIST
I 1928.00 NIST
I 1942.00 NIST
I 1946.00 NIST
I 1927.00 NIST
I 1932.00 NIST
I 1955.00 NIST
I 1963.00 NIST
I 1958.00 NIST
I 1930.00 NIST
I 1966.00 NIST
liquid 323.35 J/mol×K NIST
Tboil 505.61 K Joback Calculated Property
Tc [677.80; 683.52] K Show Hide
Tc 677.80 ± 2.00 K NIST
Tc 679.00 ± 1.00 K NIST
Tc 683.52 ± 3.00 K NIST
Tfus [263.00; 266.00] K Show Hide
Tfus 266.00 ± 0.05 K NIST
Tfus 265.69 ± 0.30 K NIST
Tfus 266.00 ± 2.00 K NIST
Tfus 263.00 ± 2.00 K NIST
Tfus 264.00 ± 2.00 K NIST
Ttriple 265.83 ± 0.02 K NIST
Vc 0.453 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [265.53; 319.29] J/mol×K [505.61; 675.71] Show Hide
Cp,gas 265.53 J/mol×K 505.61 Joback Calculated Property
Cp,gas 275.47 J/mol×K 533.96 Joback Calculated Property
Cp,gas 285.01 J/mol×K 562.31 Joback Calculated Property
Cp,gas 294.15 J/mol×K 590.66 Joback Calculated Property
Cp,gas 302.90 J/mol×K 619.01 Joback Calculated Property
Cp,gas 311.28 J/mol×K 647.36 Joback Calculated Property
Cp,gas 319.29 J/mol×K 675.71 Joback Calculated Property
Cp,liquid [265.43; 267.31] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 267.31 J/mol×K 298.15 NIST
Cp,liquid 265.43 J/mol×K 298.15 NIST
η [0.0001754; 0.0192902] Pa×s [279.40; 505.61] Show Hide
η 0.0192902 Pa×s 279.40 Joback Calculated Property
η 0.0055318 Pa×s 317.10 Joback Calculated Property
η 0.0020686 Pa×s 354.80 Joback Calculated Property
η 0.0009345 Pa×s 392.50 Joback Calculated Property
η 0.0004852 Pa×s 430.21 Joback Calculated Property
η 0.0002800 Pa×s 467.91 Joback Calculated Property
η 0.0001754 Pa×s 505.61 Joback Calculated Property
ΔfusH 15.44 kJ/mol 265.80 NIST
ΔvapH [68.30; 76.00] kJ/mol [266.00; 433.00] Show Hide
ΔvapH 76.00 kJ/mol 266.00 NIST
ΔvapH 72.50 ± 0.80 kJ/mol 305.50 NIST
ΔvapH 68.30 kJ/mol 423.00 NIST
ΔvapH 69.00 kJ/mol 433.00 NIST
Pvap [4.70; 27.67] kPa [413.48; 453.80] Show Hide
Pvap 4.70 kPa 413.48 Subatmo...
Pvap 8.63 kPa 426.48 Subatmo...
Pvap 12.56 kPa 435.07 Subatmo...
Pvap 16.57 kPa 441.33 Subatmo...
Pvap 20.63 kPa 446.40 Subatmo...
Pvap 24.65 kPa 451.00 Subatmo...
Pvap 27.67 kPa 453.80 Subatmo...
n0 [1.41720; 1.41750]   [293.15; 295.10] Show Hide
n0 1.41720 293.15 Vapour-...
n0 1.41750 295.10 Ternary...
ρl [803.40; 920.60] kg/m3 [290.30; 427.70] Show Hide
ρl 920.60 kg/m3 290.30 Density...
ρl 917.65 kg/m3 293.15 Influen...
ρl 917.70 kg/m3 293.15 Effect ...
ρl 913.50 kg/m3 298.15 Effect ...
ρl 918.00 kg/m3 298.15 Physico...
ρl 913.47 kg/m3 298.15 Influen...
ρl 909.30 kg/m3 303.15 Effect ...
ρl 909.29 kg/m3 303.15 Influen...
ρl 905.70 kg/m3 308.00 Density...
ρl 905.11 kg/m3 308.15 Influen...
ρl 905.10 kg/m3 308.15 Effect ...
ρl 900.94 kg/m3 313.15 Influen...
ρl 900.90 kg/m3 313.15 Effect ...
ρl 893.00 kg/m3 323.10 Density...
ρl 880.40 kg/m3 338.10 Density...
ρl 867.80 kg/m3 353.10 Density...
ρl 855.40 kg/m3 367.10 Density...
ρl 842.30 kg/m3 383.20 Density...
ρl 829.40 kg/m3 397.90 Density...
ρl 816.60 kg/m3 412.90 Density...
ρl 803.40 kg/m3 427.70 Density...

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 389.20 K 1.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [385.47; 521.65] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.49666e+01
Coefficient B-3.84187e+03
Coefficient C-1.23742e+02
Temperature range, min.385.47
Temperature range, max.521.65
Pvap 1.33 kPa 385.47 Calculated Property
Pvap 2.97 kPa 400.60 Calculated Property
Pvap 6.10 kPa 415.73 Calculated Property
Pvap 11.67 kPa 430.86 Calculated Property
Pvap 21.00 kPa 445.99 Calculated Property
Pvap 35.85 kPa 461.13 Calculated Property
Pvap 58.45 kPa 476.26 Calculated Property
Pvap 91.53 kPa 491.39 Calculated Property
Pvap 138.35 kPa 506.52 Calculated Property
Pvap 202.64 kPa 521.65 Calculated Property
Pvap [6.40e-06; 3122.82] kPa [265.83; 680.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A3.31594e+02
Coefficient B-2.35518e+04
Coefficient C-4.59654e+01
Coefficient D2.35250e-05
Temperature range, min.265.83
Temperature range, max.680.00
Pvap 6.40e-06 kPa 265.83 Calculated Property
Pvap 3.70e-03 kPa 311.85 Calculated Property
Pvap 0.23 kPa 357.87 Calculated Property
Pvap 3.58 kPa 403.89 Calculated Property
Pvap 24.61 kPa 449.91 Calculated Property
Pvap 100.33 kPa 495.92 Calculated Property
Pvap 294.66 kPa 541.94 Calculated Property
Pvap 709.25 kPa 587.96 Calculated Property
Pvap 1526.73 kPa 633.98 Calculated Property
Pvap 3122.82 kPa 680.00 Calculated Property

Similar Compounds

Heneicosanoic acid. Pentadecanoic acid. Dodecanoic acid. Octadecanoic acid. n-Hexadecanoic acid. Triacontanoic acid. Nonanoic acid. Undecanoic acid. Docosanoic acid. Tricosanoic acid. Tridecanoic acid. n-Decanoic acid. Heptadecanoic acid. Melissic acid. Eicosanoic acid.

Find more compounds similar to Heptanoic acid.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.