Chemical Properties of 1-Heptanol (CAS 111-70-6)

1-Heptanol

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InChI
InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChI Key
BBMCTIGTTCKYKF-UHFFFAOYSA-N
Formula
C7H16O
SMILES
CCCCCCCO
Molecular Weight1
116.20
CAS
111-70-6
Other Names
  • 1-HeptanoI
  • 1-Heptyl alcohol
  • 1-Hydroxyheptane
  • Alcohol C7
  • Enanthic alcohol
  • Enanthyl alcohol
  • Gentanol
  • Heptan-1-ol
  • Heptane-1-ol
  • Heptanol-1
  • Heptyl alcohol
  • Heptyl alcohol, n-
  • NSC 3703
  • l'Alcool n-heptylique primaire
  • n-C7H15OH
  • n-Heptan-1-ol
  • n-Heptanol
  • n-Heptanol-1
  • n-Heptyl alcohol
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Physical Properties

Property Value Unit Source
ω 0.5600 KDB
PAff 799.00 kJ/mol NIST
Tig 255.37 K KDB
Δcliquid [-4642.52; -4631.90] kJ/mol Show Hide
Δcliquid -4637.80 ± 0.50 kJ/mol NIST
Δcliquid -4638.01 ± 0.79 kJ/mol NIST
Δcliquid -4642.52 ± 0.71 kJ/mol NIST
Δcliquid -4631.90 ± 2.30 kJ/mol NIST
Δcliquid -4631.90 kJ/mol NIST
μ 1.70 debye KDB
Tflash,cc 349.82 K KDB
Δf -121.00 kJ/mol KDB
Δfgas -332.00 kJ/mol KDB
Δfliquid [-460.40; -398.80] kJ/mol Show Hide
Δfliquid -403.40 ± 0.50 kJ/mol NIST
Δfliquid -403.20 ± 0.80 kJ/mol NIST
Δfliquid -398.80 ± 0.84 kJ/mol NIST
Δfliquid -409.40 ± 2.30 kJ/mol NIST
Δfliquid -460.40 ± 3.00 kJ/mol NIST
Δfus 17.97 kJ/mol Joback Calculated Property
Δvap [66.40; 69.70] kJ/mol Show Hide
Δvap 66.81 kJ/mol NIST
Δvap 67.10 kJ/mol NIST
Δvap 66.90 ± 0.40 kJ/mol NIST
Δvap 66.50 kJ/mol NIST
Δvap 66.40 kJ/mol NIST
Δvap 66.81 ± 0.20 kJ/mol NIST
Δvap 66.80 ± 0.20 kJ/mol NIST
Δvap 67.80 ± 1.50 kJ/mol NIST
Δvap Outlier 69.70 kJ/mol NIST
IE [9.84; 10.40] eV Show Hide
IE 10.40 ± 0.10 eV NIST
IE 9.84 eV NIST
IE 10.35 eV NIST
log10WS [-1.81; -1.81]   Show Hide
log10WS -1.81 Aq. Sol...
log10WS -1.81 Estimat...
logPoct/wat 1.949 Crippen Calculated Property
McVol 115.360 ml/mol McGowan Calculated Property
Pc [3058.00; 3160.00] kPa Show Hide
Pc 3058.00 kPa KDB
Pc 3060.00 ± 20.00 kPa NIST
Pc 3160.00 ± 50.00 kPa NIST
Pc 3058.00 ± 20.00 kPa NIST
Pc 3058.00 ± 20.00 kPa NIST
ρc [266.10; 267.26] kg/m3 Show Hide
ρc 267.26 ± 2.32 kg/m3 NIST
ρc 267.26 kg/m3 NIST
ρc 266.10 ± 27.89 kg/m3 NIST
ρc 267.26 ± 3.49 kg/m3 NIST
Inp [154.52; 989.00]   Show Hide
Inp 942.00 NIST
Inp 951.60 NIST
Inp 933.20 NIST
Inp 939.60 NIST
Inp 954.90 NIST
Inp 952.80 NIST
Inp 971.10 NIST
Inp 969.20 NIST
Inp 981.00 NIST
Inp 950.00 NIST
Inp 951.00 NIST
Inp 950.00 NIST
Inp 938.00 NIST
Inp 966.00 NIST
Inp 960.00 NIST
Inp 955.00 NIST
Inp 955.00 NIST
Inp 953.00 NIST
Inp 932.00 NIST
Inp 942.00 NIST
Inp 960.00 NIST
Inp 958.00 NIST
Inp 956.00 NIST
Inp 945.00 NIST
Inp 955.00 NIST
Inp 972.00 NIST
Inp 972.00 NIST
Inp 972.00 NIST
Inp 959.00 NIST
Inp 961.00 NIST
Inp 960.00 NIST
Inp 970.00 NIST
Inp 970.00 NIST
Inp 971.00 NIST
Inp 973.00 NIST
Inp 969.00 NIST
Inp 969.00 NIST
Inp 975.00 NIST
Inp 970.00 NIST
Inp 951.80 NIST
Inp 966.70 NIST
Inp 963.00 NIST
Inp 958.00 NIST
Inp 959.00 NIST
Inp 960.00 NIST
Inp 949.00 NIST
Inp 968.00 NIST
Inp 971.00 NIST
Inp 952.20 NIST
Inp 953.30 NIST
Inp 970.60 NIST
Inp 954.00 NIST
Inp 974.00 NIST
Inp 949.00 NIST
Inp 953.20 NIST
Inp 967.00 NIST
Inp 951.00 NIST
Inp 950.00 NIST
Inp 953.00 NIST
Inp 956.00 NIST
Inp 977.20 NIST
Inp 962.00 NIST
Inp 969.00 NIST
Inp 974.00 NIST
Inp 978.00 NIST
Inp 984.00 NIST
Inp 969.00 NIST
Inp 974.00 NIST
Inp 974.00 NIST
Inp 950.00 NIST
Inp 953.00 NIST
Inp 951.00 NIST
Inp 960.00 NIST
Inp 960.00 NIST
Inp 969.00 NIST
Inp 973.00 NIST
Inp 977.00 NIST
Inp 975.00 NIST
Inp 967.00 NIST
Inp 976.00 NIST
Inp 970.00 NIST
Inp 953.00 NIST
Inp 989.00 NIST
Inp 971.00 NIST
Inp 969.00 NIST
Inp 971.00 NIST
Inp 970.00 NIST
Inp 974.00 NIST
Inp 969.00 NIST
Inp 952.00 NIST
Inp 951.00 NIST
Inp 972.00 NIST
Inp 957.00 NIST
Inp 978.00 NIST
Inp 972.00 NIST
Inp 957.00 NIST
Inp 952.20 NIST
Inp 952.00 NIST
Inp 952.40 NIST
Inp 952.90 NIST
Inp 956.40 NIST
Inp 951.00 NIST
Inp 955.00 NIST
Inp 953.00 NIST
Inp 951.00 NIST
Inp 960.00 NIST
Inp 973.00 NIST
Inp 970.00 NIST
Inp 970.00 NIST
Inp 975.00 NIST
Inp 967.00 NIST
Inp 983.00 NIST
Inp 970.00 NIST
Inp 946.00 NIST
Inp 974.00 NIST
Inp 970.00 NIST
Inp 972.00 NIST
Inp 968.00 NIST
Inp 961.00 NIST
Inp 969.00 NIST
Inp 964.00 NIST
Inp 969.00 NIST
Inp 947.00 NIST
Inp 969.00 NIST
Inp 960.00 NIST
Inp 970.00 NIST
Inp 953.00 NIST
Inp 953.00 NIST
Inp 955.00 NIST
Inp 970.00 NIST
Inp 968.40 NIST
Inp 947.00 NIST
Inp 978.00 NIST
Inp 953.00 NIST
Inp 957.00 NIST
Inp 957.00 NIST
Inp 953.00 NIST
Inp 955.00 NIST
Inp 980.00 NIST
Inp 951.00 NIST
Inp 967.00 NIST
Inp 953.00 NIST
Inp 955.00 NIST
Inp 973.00 NIST
Inp 980.00 NIST
Inp Outlier 154.52 NIST
Inp Outlier 157.77 NIST
Inp Outlier 155.86 NIST
Inp 970.00 NIST
Inp 969.00 NIST
Inp 963.00 NIST
Inp 968.00 NIST
Inp 954.00 NIST
Inp 951.00 NIST
Inp 972.00 NIST
Inp 977.20 NIST
Inp 984.00 NIST
I [1405.00; 1471.00]   Show Hide
I 1456.00 NIST
I Outlier 1405.00 NIST
I 1468.00 NIST
I 1427.00 NIST
I 1453.00 NIST
I 1427.00 NIST
I 1459.00 NIST
I 1467.00 NIST
I 1444.00 NIST
I 1461.00 NIST
I 1452.00 NIST
I 1431.00 NIST
I 1425.00 NIST
I 1460.00 NIST
I 1450.00 NIST
I 1423.00 NIST
I 1437.00 NIST
I 1450.00 NIST
I 1452.00 NIST
I 1461.00 NIST
I 1462.00 NIST
I 1441.00 NIST
I 1460.00 NIST
I 1463.00 NIST
I 1465.00 NIST
I 1462.00 NIST
I 1447.00 NIST
I 1446.00 NIST
I 1439.00 NIST
I 1452.00 NIST
I 1459.00 NIST
I 1439.00 NIST
I 1439.00 NIST
I 1456.00 NIST
I 1456.00 NIST
I 1443.00 NIST
I 1457.00 NIST
I 1460.00 NIST
I 1439.00 NIST
I 1470.00 NIST
I 1450.00 NIST
I 1457.00 NIST
I Outlier 1421.00 NIST
I 1440.00 NIST
I 1440.00 NIST
I 1455.00 NIST
I 1440.00 NIST
I 1440.00 NIST
I 1458.00 NIST
I 1441.00 NIST
I 1460.00 NIST
I 1462.00 NIST
I 1463.00 NIST
I 1445.70 NIST
I 1452.90 NIST
I 1450.30 NIST
I 1447.40 NIST
I 1449.80 NIST
I 1449.30 NIST
I 1449.20 NIST
I 1448.40 NIST
I 1424.00 NIST
I 1460.00 NIST
I 1439.00 NIST
I 1444.00 NIST
I 1447.00 NIST
I 1459.00 NIST
I 1457.00 NIST
I 1449.00 NIST
I 1440.00 NIST
I 1468.00 NIST
I 1458.00 NIST
I 1464.00 NIST
I 1443.00 NIST
I 1458.00 NIST
I 1471.00 NIST
I 1457.00 NIST
I 1449.00 NIST
I 1462.00 NIST
I 1459.00 NIST
I 1454.00 NIST
I 1455.00 NIST
I 1462.00 NIST
I 1453.00 NIST
I 1457.00 NIST
I 1439.00 NIST
I 1463.00 NIST
I 1467.00 NIST
I 1452.00 NIST
I 1467.00 NIST
I Outlier 1419.00 NIST
I Outlier 1419.00 NIST
I 1458.00 NIST
I 1456.00 NIST
I 1460.00 NIST
I 1460.00 NIST
I 1467.00 NIST
I 1470.00 NIST
I 1456.00 NIST
I 1439.00 NIST
I 1450.00 NIST
I 1436.00 NIST
I 1440.00 NIST
I 1462.00 NIST
I 1460.00 NIST
I 1453.00 NIST
I 1429.00 NIST
I 1463.00 NIST
I 1468.00 NIST
I 1454.00 NIST
I 1459.00 NIST
I 1467.00 NIST
I Outlier 1419.00 NIST
I 1452.00 NIST
I 1440.00 NIST
I 1470.00 NIST
I 1455.00 NIST
I Outlier 1419.00 NIST
I 1449.00 NIST
I 1450.00 NIST
I 1430.00 NIST
I 1441.00 NIST
I 1456.00 NIST
I 1427.00 NIST
I 1452.00 NIST
I 1423.00 NIST
I 1460.00 NIST
I 1467.00 NIST
I 1436.00 NIST
I 1429.00 NIST
I 1455.00 NIST
I 1441.00 NIST
gas 485.80 ± 4.20 J/mol×K NIST
liquid 325.90 J/mol×K NIST
Tboil [445.90; 450.15] K Show Hide
Tboil 449.60 K KDB
Tboil 449.50 K NIST
Tboil 447.30 ± 0.15 K NIST
Tboil 449.55 ± 0.40 K NIST
Tboil Outlier 446.15 ± 2.00 K NIST
Tboil 448.15 ± 2.00 K NIST
Tboil 449.55 ± 1.00 K NIST
Tboil 449.15 ± 2.00 K NIST
Tboil 449.25 ± 0.50 K NIST
Tboil 449.05 ± 0.50 K NIST
Tboil 449.15 ± 0.50 K NIST
Tboil 449.30 ± 0.50 K NIST
Tboil 448.55 ± 0.30 K NIST
Tboil 447.20 ± 0.60 K NIST
Tboil 449.65 ± 2.00 K NIST
Tboil 448.70 ± 0.60 K NIST
Tboil 449.30 ± 0.20 K NIST
Tboil 447.15 ± 2.00 K NIST
Tboil 447.90 ± 2.00 K NIST
Tboil 447.65 ± 3.00 K NIST
Tboil 449.96 ± 0.40 K NIST
Tboil 448.75 ± 0.35 K NIST
Tboil 449.45 ± 0.50 K NIST
Tboil 449.50 ± 0.20 K NIST
Tboil 449.30 ± 0.30 K NIST
Tboil 448.55 ± 2.00 K NIST
Tboil 448.15 ± 2.00 K NIST
Tboil 449.15 ± 0.50 K NIST
Tboil 448.15 ± 2.00 K NIST
Tboil 447.20 ± 0.40 K NIST
Tboil 449.15 ± 3.00 K NIST
Tboil 447.90 ± 1.00 K NIST
Tboil 449.15 ± 2.00 K NIST
Tboil 447.65 ± 2.00 K NIST
Tboil Outlier 446.15 ± 1.00 K NIST
Tboil 448.15 ± 2.00 K NIST
Tboil 448.15 ± 2.00 K NIST
Tboil 450.15 ± 2.00 K NIST
Tboil Outlier 445.90 ± 1.00 K NIST
Tboil Outlier 445.90 ± 1.00 K NIST
Tboil 448.15 ± 2.00 K NIST
Tboil 447.65 ± 3.00 K NIST
Tboil 448.70 ± 2.00 K NIST
Tboil 449.15 ± 2.00 K NIST
Tboil 448.95 ± 1.00 K NIST
Tc 632.60 K KDB
Tfus [238.25; 239.40] K Show Hide
Tfus 238.65 K Aq. Sol...
Tfus 239.00 K KDB
Tfus 238.25 ± 0.50 K NIST
Tfus 239.40 ± 0.50 K NIST
Tfus 238.60 ± 0.40 K NIST
Ttriple 240.00 ± 0.20 K NIST
Vc [0.435; 0.435] m3/kmol Show Hide
Vc 0.435 m3/kmol KDB
Vc 0.435 m3/kmol NIST
Zc 0.2529070 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [247.80; 305.68] J/mol×K [451.74; 612.20] Show Hide
Cp,gas 247.80 J/mol×K 451.74 Joback Calculated Property
Cp,gas 258.38 J/mol×K 478.48 Joback Calculated Property
Cp,gas 268.58 J/mol×K 505.23 Joback Calculated Property
Cp,gas 278.39 J/mol×K 531.97 Joback Calculated Property
Cp,gas 287.84 J/mol×K 558.71 Joback Calculated Property
Cp,gas 296.94 J/mol×K 585.45 Joback Calculated Property
Cp,gas 305.68 J/mol×K 612.20 Joback Calculated Property
Cp,liquid [270.80; 297.00] J/mol×K [298.00; 303.35] Show Hide
Cp,liquid 274.10 J/mol×K 298.00 NIST
Cp,liquid 270.80 J/mol×K 298.15 NIST
Cp,liquid 272.29 J/mol×K 298.15 NIST
Cp,liquid 273.67 J/mol×K 298.15 NIST
Cp,liquid 278.57 J/mol×K 298.15 NIST
Cp,liquid 278.90 J/mol×K 302.97 NIST
Cp,liquid 297.00 J/mol×K 303.35 NIST
η [0.0002110; 0.0673608] Pa×s [229.47; 451.74] Show Hide
η 0.0673608 Pa×s 229.47 Joback Calculated Property
η 0.0132124 Pa×s 266.51 Joback Calculated Property
η 0.0038567 Pa×s 303.56 Joback Calculated Property
η 0.0014716 Pa×s 340.61 Joback Calculated Property
η 0.0006783 Pa×s 377.65 Joback Calculated Property
η 0.0003591 Pa×s 414.70 Joback Calculated Property
η 0.0002110 Pa×s 451.74 Joback Calculated Property
ΔfusH [18.16; 18.35] kJ/mol [239.90; 240.40] Show Hide
ΔfusH 18.35 kJ/mol 239.90 NIST
ΔfusH 18.16 kJ/mol 240.40 NIST
ΔfusH 18.16 kJ/mol 240.40 NIST
ΔfusH 18.18 kJ/mol 240.40 NIST
ΔvapH [48.12; 65.20] kJ/mol [310.50; 449.10] Show Hide
ΔvapH 65.20 kJ/mol 310.50 NIST
ΔvapH 62.90 kJ/mol 379.00 NIST
ΔvapH 65.20 kJ/mol 391.00 NIST
ΔvapH 62.50 kJ/mol 392.50 NIST
ΔvapH 62.60 kJ/mol 393.00 NIST
ΔvapH 48.12 kJ/mol 449.10 KDB
ρl 822.00 kg/m3 293.00 KDB
ΔfusS 75.60 J/mol×K 240.40 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 351.70 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [344.87; 473.36] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.46759e+01
Coefficient B-3.44597e+03
Coefficient C-1.05377e+02
Temperature range, min.344.87
Temperature range, max.473.36
Pvap 1.33 kPa 344.87 Calculated Property
Pvap 2.99 kPa 359.15 Calculated Property
Pvap 6.17 kPa 373.42 Calculated Property
Pvap 11.82 kPa 387.70 Calculated Property
Pvap 21.28 kPa 401.98 Calculated Property
Pvap 36.28 kPa 416.25 Calculated Property
Pvap 59.02 kPa 430.53 Calculated Property
Pvap 92.18 kPa 444.81 Calculated Property
Pvap 138.86 kPa 459.08 Calculated Property
Pvap 202.64 kPa 473.36 Calculated Property
Pvap [1.63e-05; 2969.62] kPa [239.15; 631.90] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.98081e+02
Coefficient B-1.56272e+04
Coefficient C-2.63701e+01
Coefficient D1.17680e-05
Temperature range, min.239.15
Temperature range, max.631.90
Pvap 1.63e-05 kPa 239.15 Calculated Property
Pvap 6.16e-03 kPa 282.79 Calculated Property
Pvap 0.31 kPa 326.43 Calculated Property
Pvap 4.57 kPa 370.07 Calculated Property
Pvap 31.12 kPa 413.71 Calculated Property
Pvap 127.11 kPa 457.34 Calculated Property
Pvap 368.82 kPa 500.98 Calculated Property
Pvap 849.17 kPa 544.62 Calculated Property
Pvap 1672.47 kPa 588.26 Calculated Property
Pvap 2969.62 kPa 631.90 Calculated Property

Similar Compounds

heptanol. 1-Heneicosanol. 1-Undecanol. n-Tridecan-1-ol. Decanol. 1-Hexacosanol. 1-Octanol. Nonanol. 1-Nonanol. Tetradecanol. 1-Hexadecanol. 1-Tricosanol. n-Heptadecanol-1. 1-Dodecanol. Octacosanol.

Find more compounds similar to 1-Heptanol.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.