- 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
- 589-98-0
- Other Names
-
- Amylethylcarbinol
- D-n-Octanol
- Ethyl-n-amylcarbinol
- Ethylamylcarbinol
- Octan-3-ol
- Octanol-3
- n-Octan-3-ol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
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° | 66.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | [-1.98; -1.98] |
|
|
| 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 |
|
| ρc | 252.64 | kg/m3 | NIST |
| ρc | 252.64 ± 6.51 | kg/m3 | NIST |
| Inp | [961.00; 1013.00] |
|
|
| 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 | 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 | 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 | 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 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 | 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 | 987.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | Outlier 971.00 | NIST | |
| 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 | 981.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 985.40 | 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 | |
| I | [1356.00; 1427.00] |
|
|
| I | Outlier 1356.00 | NIST | |
| I | Outlier 1359.00 | NIST | |
| I | 1383.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1383.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1396.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1396.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1394.00 | NIST | |
| I | Outlier 1423.00 | NIST | |
| I | 1383.00 | NIST | |
| I | 1389.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1392.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1383.00 | NIST | |
| I | Outlier 1427.00 | NIST | |
| I | 1384.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1381.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1404.00 | NIST | |
| I | Outlier 1368.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1385.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1396.00 | NIST | |
| I | 1392.00 | NIST | |
| I | 1385.00 | NIST | |
| I | 1400.00 | NIST | |
| I | Outlier 1417.80 | NIST | |
| I | Outlier 1417.80 | NIST | |
| I | 1386.00 | NIST | |
| I | Outlier 1368.00 | NIST | |
| I | 1408.00 | NIST | |
| I | 1384.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1383.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1391.00 | NIST | |
| I | 1375.00 | NIST | |
| I | 1383.00 | NIST | |
| I | Outlier 1357.00 | NIST | |
| I | 1411.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1396.00 | NIST | |
| I | 1395.00 | NIST | |
| I | Outlier 1364.00 | NIST | |
| I | 1391.00 | NIST | |
| I | 1379.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1389.00 | NIST | |
| I | 1382.00 | NIST | |
| I | 1388.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1405.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1399.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1411.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1399.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1399.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1403.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1383.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1379.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1379.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1396.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1392.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1404.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1386.00 | NIST | |
| I | Outlier 1417.80 | NIST | |
| I | 1399.00 | NIST | |
| I | 1383.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1401.00 | NIST | |
| I | Outlier 1368.00 | NIST | |
| I | 1411.00 | NIST | |
| I | 1391.00 | NIST | |
| I | 1388.00 | NIST | |
| I | 1390.00 | NIST | |
| I | Outlier 1356.00 | NIST | |
| Tboil | 444.16 | K | Relay (1.0) Calculated Property |
| Tc | [628.45; 628.50] | K |
|
| Tc | 628.50 ± 0.50 | K | NIST |
| Tc | 628.50 | K | NIST |
| Tc | 628.45 ± 0.30 | K | NIST |
| Tfus | 235.40 | K | Aq. Solubility Prediction |
| Vc | 0.515 | m3/kmol | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.23; 354.79] | J/mol×K | [474.18; 637.10] |
|
| Cp,gas | 290.23 | J/mol×K | 474.18 | Joback Calculated Property |
| Cp,gas | 302.08 | J/mol×K | 501.33 | Joback Calculated Property |
| Cp,gas | 313.47 | J/mol×K | 528.49 | Joback Calculated Property |
| Cp,gas | 324.43 | J/mol×K | 555.64 | Joback Calculated Property |
| Cp,gas | 334.96 | J/mol×K | 582.79 | Joback Calculated Property |
| Cp,gas | 345.08 | J/mol×K | 609.94 | Joback Calculated Property |
| Cp,gas | 354.79 | J/mol×K | 637.10 | Joback Calculated Property |
| Cp,liquid | 338.50 | J/mol×K | 298.50 | NIST |
| η | [0.0001689; 0.1178389] | Pa×s | [225.74; 474.18] |
|
| η | 0.1178389 | Pa×s | 225.74 | Joback Calculated Property |
| η | 0.0169844 | Pa×s | 267.15 | Joback Calculated Property |
| η | 0.0041171 | Pa×s | 308.55 | Joback Calculated Property |
| η | 0.0013956 | Pa×s | 349.96 | Joback Calculated Property |
| η | 0.0005948 | Pa×s | 391.37 | Joback Calculated Property |
| η | 0.0002984 | Pa×s | 432.77 | Joback Calculated Property |
| η | 0.0001689 | Pa×s | 474.18 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [342.20; 467.50] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.68983e+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 |
Similar Compounds
Find more compounds similar to 3-Octanol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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.