Chemical Properties of (±)-octan-3-ol (CAS 20296-29-1)

(±)-octan-3-ol

InChI
InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
InChI Key
NMRPBPVERJPACX-UHFFFAOYSA-N
Formula
C8H18O
SMILES
CCCCCC(O)CC
Molecular Weight1
130.23
CAS
20296-29-1
Other Names
  • Amylethylcarbinol
  • D-n-Octanol
  • Ethyl-n-amylcarbinol
  • Octan-3-ol
  • Octanol-3
  • ethylamylcarbinol
  • n-octan-3-ol
  • 3-Octanol
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Physical Properties

Property Value Unit Source
ω 0.6330 Relay (1.0) Calculated Property
Cp,liquid 339.89 J/mol×K Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
ΔfG° -122.78 kJ/mol Joback Calculated Property
ΔfH°gas -379.51 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 17.04 kJ/mol Joback Calculated Property
ΔvapH° 67.90 ± 0.30 kJ/mol NIST
IE 9.79 eV Relay (1.0) Calculated Property
log10WS [-1.98; -1.98]   Show Hide
log10WS -1.98 Aq. Solubility Prediction
log10WS -1.98 Estimated Solubility
logPoct/wat 2.338 Crippen Calculated Property
McVol 129.450 ml/mol McGowan Calculated Property
Pc 2811.36 kPa Joback Calculated Property
ρc [252.64; 252.64] kg/m3 Show Hide
ρc 252.64 kg/m3 NIST
ρc 252.64 ± 6.51 kg/m3 NIST
Inp [961.00; 1013.00]   Show Hide
Inp 996.00 NIST
Inp 1007.00 NIST
Inp 991.00 NIST
Inp 999.00 NIST
Inp 998.00 NIST
Inp 993.00 NIST
Inp 993.00 NIST
Inp 981.00 NIST
Inp 985.00 NIST
Inp 985.40 NIST
Inp 990.00 NIST
Inp 996.00 NIST
Inp 994.00 NIST
Inp 990.00 NIST
Inp 985.00 NIST
Inp 985.00 NIST
Inp 993.00 NIST
Inp 992.00 NIST
Inp 994.00 NIST
Inp Outlier 1013.00 NIST
Inp 980.00 NIST
Inp 982.00 NIST
Inp 997.00 NIST
Inp 996.00 NIST
Inp 1007.00 NIST
Inp 995.00 NIST
Inp 995.00 NIST
Inp 1007.00 NIST
Inp 985.00 NIST
Inp 989.00 NIST
Inp 995.90 NIST
Inp 981.00 NIST
Inp 991.00 NIST
Inp 995.00 NIST
Inp 994.00 NIST
Inp 988.00 NIST
Inp 995.00 NIST
Inp 999.00 NIST
Inp 991.00 NIST
Inp 995.00 NIST
Inp 995.00 NIST
Inp 988.00 NIST
Inp 998.00 NIST
Inp 995.00 NIST
Inp 995.00 NIST
Inp 993.00 NIST
Inp 993.00 NIST
Inp 993.00 NIST
Inp 993.00 NIST
Inp 993.00 NIST
Inp 997.00 NIST
Inp 1004.00 NIST
Inp 993.00 NIST
Inp 996.00 NIST
Inp 994.00 NIST
Inp 997.00 NIST
Inp 993.00 NIST
Inp 981.00 NIST
Inp 993.00 NIST
Inp 977.00 NIST
Inp 994.00 NIST
Inp 982.00 NIST
Inp 985.00 NIST
Inp 979.00 NIST
Inp 995.00 NIST
Inp 978.00 NIST
Inp 986.00 NIST
Inp 993.00 NIST
Inp 982.00 NIST
Inp 990.00 NIST
Inp 994.00 NIST
Inp Outlier 971.00 NIST
Inp 980.00 NIST
Inp 995.00 NIST
Inp 1002.00 NIST
Inp 993.00 NIST
Inp 995.00 NIST
Inp 995.00 NIST
Inp 1000.00 NIST
Inp 994.00 NIST
Inp 986.00 NIST
Inp 995.00 NIST
Inp 995.00 NIST
Inp 980.00 NIST
Inp 997.00 NIST
Inp 998.00 NIST
Inp 1001.00 NIST
Inp 1002.00 NIST
Inp 996.00 NIST
Inp Outlier 963.00 NIST
Inp 995.00 NIST
Inp 993.00 NIST
Inp 990.00 NIST
Inp 994.00 NIST
Inp 978.00 NIST
Inp 991.00 NIST
Inp 1002.00 NIST
Inp 986.00 NIST
Inp 993.00 NIST
Inp 992.00 NIST
Inp 998.00 NIST
Inp 1002.00 NIST
Inp 993.00 NIST
Inp 981.00 NIST
Inp 1004.00 NIST
Inp 993.00 NIST
Inp 992.00 NIST
Inp 999.00 NIST
Inp 991.00 NIST
Inp 993.00 NIST
Inp 990.00 NIST
Inp 982.00 NIST
Inp 977.00 NIST
Inp 988.00 NIST
Inp 991.00 NIST
Inp 995.00 NIST
Inp 986.00 NIST
Inp 979.00 NIST
Inp 981.00 NIST
Inp 989.00 NIST
Inp 993.00 NIST
Inp 994.00 NIST
Inp 991.00 NIST
Inp 995.00 NIST
Inp 991.00 NIST
Inp 992.00 NIST
Inp 981.00 NIST
Inp 995.00 NIST
Inp 993.00 NIST
Inp Outlier 971.00 NIST
Inp 987.00 NIST
Inp 991.00 NIST
Inp 994.00 NIST
Inp 994.00 NIST
Inp 995.00 NIST
Inp 985.00 NIST
Inp 986.00 NIST
Inp 984.00 NIST
Inp 988.00 NIST
Inp 999.00 NIST
Inp 980.00 NIST
Inp 982.00 NIST
Inp 983.00 NIST
Inp 995.00 NIST
Inp 993.00 NIST
Inp 995.00 NIST
Inp 984.00 NIST
Inp 986.00 NIST
Inp 974.00 NIST
Inp 986.00 NIST
Inp 996.00 NIST
Inp 986.00 NIST
Inp 995.00 NIST
Inp 1000.00 NIST
Inp 1000.00 NIST
Inp 1004.00 NIST
Inp 996.00 NIST
Inp 974.00 NIST
Inp 981.00 NIST
Inp 993.00 NIST
Inp 994.00 NIST
Inp 990.00 NIST
Inp 990.00 NIST
Inp 991.00 NIST
Inp Outlier 1012.00 NIST
Inp Outlier 1013.00 NIST
Inp 989.00 NIST
Inp 991.00 NIST
Inp 994.00 NIST
Inp 982.00 NIST
Inp 993.00 NIST
Inp 988.00 NIST
Inp Outlier 961.00 NIST
Inp 974.00 NIST
Inp 982.00 NIST
Inp 974.00 NIST
Inp 996.00 NIST
Inp 987.00 NIST
Inp 974.00 NIST
Inp 979.00 NIST
Inp 986.00 NIST
Inp Outlier 971.00 NIST
Inp 980.00 NIST
Inp 974.00 NIST
Inp 1000.00 NIST
Inp 990.00 NIST
Inp 989.00 NIST
Inp 988.00 NIST
Inp 979.00 NIST
Inp 982.00 NIST
Inp 995.00 NIST
Inp 1002.00 NIST
Inp 986.00 NIST
Inp 977.00 NIST
Inp 994.00 NIST
Inp 984.00 NIST
Inp 983.00 NIST
Inp 997.00 NIST
Inp 985.40 NIST
Ip [1356.00; 1427.00]   Show Hide
Ip Outlier 1356.00 NIST
Ip Outlier 1359.00 NIST
Ip 1383.00 NIST
Ip 1386.00 NIST
Ip 1383.00 NIST
Ip 1390.00 NIST
Ip 1390.00 NIST
Ip 1398.00 NIST
Ip 1398.00 NIST
Ip 1396.00 NIST
Ip 1394.00 NIST
Ip 1394.00 NIST
Ip 1396.00 NIST
Ip 1400.00 NIST
Ip 1394.00 NIST
Ip Outlier 1423.00 NIST
Ip 1383.00 NIST
Ip 1389.00 NIST
Ip 1395.00 NIST
Ip 1392.00 NIST
Ip 1395.00 NIST
Ip 1383.00 NIST
Ip Outlier 1427.00 NIST
Ip 1384.00 NIST
Ip 1387.00 NIST
Ip 1398.00 NIST
Ip 1380.00 NIST
Ip 1381.00 NIST
Ip 1397.00 NIST
Ip 1395.00 NIST
Ip 1400.00 NIST
Ip 1406.00 NIST
Ip 1406.00 NIST
Ip 1406.00 NIST
Ip 1404.00 NIST
Ip Outlier 1368.00 NIST
Ip 1400.00 NIST
Ip 1386.00 NIST
Ip 1385.00 NIST
Ip 1395.00 NIST
Ip 1380.00 NIST
Ip 1395.00 NIST
Ip 1396.00 NIST
Ip 1392.00 NIST
Ip 1385.00 NIST
Ip 1400.00 NIST
Ip Outlier 1417.80 NIST
Ip Outlier 1417.80 NIST
Ip 1386.00 NIST
Ip Outlier 1368.00 NIST
Ip 1408.00 NIST
Ip 1384.00 NIST
Ip 1380.00 NIST
Ip 1383.00 NIST
Ip 1393.00 NIST
Ip 1391.00 NIST
Ip 1375.00 NIST
Ip 1383.00 NIST
Ip Outlier 1357.00 NIST
Ip 1411.00 NIST
Ip 1395.00 NIST
Ip 1396.00 NIST
Ip 1395.00 NIST
Ip Outlier 1364.00 NIST
Ip 1391.00 NIST
Ip 1379.00 NIST
Ip 1397.00 NIST
Ip 1380.00 NIST
Ip 1398.00 NIST
Ip 1398.00 NIST
Ip 1398.00 NIST
Ip 1398.00 NIST
Ip 1389.00 NIST
Ip 1382.00 NIST
Ip 1388.00 NIST
Ip 1390.00 NIST
Ip 1405.00 NIST
Ip 1395.00 NIST
Ip 1400.00 NIST
Ip 1390.00 NIST
Ip 1399.00 NIST
Ip 1406.00 NIST
Ip 1411.00 NIST
Ip 1393.00 NIST
Ip 1399.00 NIST
Ip 1395.00 NIST
Ip 1399.00 NIST
Ip 1394.00 NIST
Ip 1403.00 NIST
Ip 1394.00 NIST
Ip 1383.00 NIST
Ip 1393.00 NIST
Ip 1393.00 NIST
Ip 1393.00 NIST
Ip 1393.00 NIST
Ip 1393.00 NIST
Ip 1393.00 NIST
Ip 1393.00 NIST
Ip 1393.00 NIST
Ip 1379.00 NIST
Ip 1393.00 NIST
Ip 1393.00 NIST
Ip 1393.00 NIST
Ip 1393.00 NIST
Ip 1393.00 NIST
Ip 1401.00 NIST
Ip 1379.00 NIST
Ip 1394.00 NIST
Ip 1396.00 NIST
Ip 1394.00 NIST
Ip 1392.00 NIST
Ip 1387.00 NIST
Ip 1395.00 NIST
Ip 1404.00 NIST
Ip 1383.00 NIST
Ip 1399.00 NIST
Ip 1393.00 NIST
Ip 1401.00 NIST
Ip Outlier 1368.00 NIST
Ip 1411.00 NIST
Ip 1391.00 NIST
Ip 1398.00 NIST
Ip 1388.00 NIST
Ip 1390.00 NIST
Ip Outlier 1356.00 NIST
Ip 1386.00 NIST
Ip Outlier 1417.80 NIST
Tboil 448.20 K NIST
Tc [628.45; 628.50] K Show Hide
Tc 628.50 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value
Tc 628.50 ± 0.50 K NIST
Tc 628.50 K NIST
Tc 628.45 ± 0.30 K NIST
Tfus [228.15; 235.40] K Show Hide
Tfus 228.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 235.40 K Aq. Solubility Prediction
Vc [0.515; 0.515] m3/kmol Show Hide
Vc 0.515 m3/kmol IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value
Vc 0.515 m3/kmol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 338.50 J/mol×K 298.50 NIST
ΔvapH [54.50; 71.60] kJ/mol [300.50; 408.00] Show Hide
ΔvapH 71.60 kJ/mol 300.50 NIST
ΔvapH 64.10 kJ/mol 381.50 NIST
ΔvapH 58.80 kJ/mol 399.00 NIST
ΔvapH 54.50 kJ/mol 408.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [187.38; 451.27] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-7.75000e-01
Coefficient B8.03740e-01
Coefficient C-4.45000e-04
Coefficient D9.33000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 187.38 J/mol×K 273.00 Calculated Property
Cp,gas 232.01 J/mol×K 353.78 Calculated Property
Cp,gas 272.12 J/mol×K 434.56 Calculated Property
Cp,gas 308.01 J/mol×K 515.33 Calculated Property
Cp,gas 339.98 J/mol×K 596.11 Calculated Property
Cp,gas 368.31 J/mol×K 676.89 Calculated Property
Cp,gas 393.32 J/mol×K 757.67 Calculated Property
Cp,gas 415.28 J/mol×K 838.44 Calculated Property
Cp,gas 434.50 J/mol×K 919.22 Calculated Property
Cp,gas 451.27 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0851073; 0.0002684] Pa×s [231.77; 439.94] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.46357e+01
Coefficient B2.82113e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.231.77
Temperature range, max.439.94
η 0.0851073 Pa×s 231.77 Calculated Property
η 0.0282039 Pa×s 254.90 Calculated Property
η 0.0112320 Pa×s 278.03 Calculated Property
η 0.0051526 Pa×s 301.16 Calculated Property
η 0.0026416 Pa×s 324.29 Calculated Property
η 0.0014803 Pa×s 347.42 Calculated Property
η 0.0008917 Pa×s 370.55 Calculated Property
η 0.0005701 Pa×s 393.68 Calculated Property
η 0.0003831 Pa×s 416.81 Calculated Property
η 0.0002684 Pa×s 439.94 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [342.20; 467.50] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.68983e+01
Coefficient B-4.80013e+03
Coefficient C-5.32220e+01
Temperature range, min.342.20
Temperature range, max.467.50
Pvap 1.33 kPa 342.20 Calculated Property
Pvap 2.86 kPa 356.12 Calculated Property
Pvap 5.74 kPa 370.04 Calculated Property
Pvap 10.86 kPa 383.97 Calculated Property
Pvap 19.52 kPa 397.89 Calculated Property
Pvap 33.52 kPa 411.81 Calculated Property
Pvap 55.28 kPa 425.73 Calculated Property
Pvap 87.94 kPa 439.66 Calculated Property
Pvap 135.46 kPa 453.58 Calculated Property
Pvap 202.67 kPa 467.50 Calculated Property
Pvap [7.61e-03; 2.17] kPa [283.00; 353.00] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.57646e+01
Coefficient B-3.82994e+03
Coefficient C-9.74700e+01
ReferenceGeiseler, Fruwert, et al., 1966
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.283.00
Temperature range, max.353.00
Pvap 7.61e-03 kPa 283.00 Calculated Property
Pvap 0.02 kPa 290.78 Calculated Property
Pvap 0.04 kPa 298.56 Calculated Property
Pvap 0.08 kPa 306.33 Calculated Property
Pvap 0.15 kPa 314.11 Calculated Property
Pvap 0.27 kPa 321.89 Calculated Property
Pvap 0.48 kPa 329.67 Calculated Property
Pvap 0.82 kPa 337.44 Calculated Property
Pvap 1.36 kPa 345.22 Calculated Property
Pvap 2.17 kPa 353.00 Calculated Property

Similar Compounds

3-Decanol. 3-Nonanol. 3-Tetradecanol. 3-Hexadecanol. 3-Pentadecanol. 3-Heptadecanol. Undecanol-3. 3-Tridecanol. (S)-decan-3-ol. 3-Dodecanol. 6-Undecanol. 5-Decanol. 5-Undecanol. 6-Dodecanol. 6-Tetradecanol.

Find more compounds similar to (±)-octan-3-ol.

Sources

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