- InChI
- InChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3
- InChI Key
- WOFPPJOZXUTRAU-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCCCC(O)CCC
- Molecular Weight1
- 130.23
- CAS
- 589-62-8
- Other Names
-
- n-octan-4-ol
- octan-4-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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6315 | Relay (1.0) Calculated Property | |
| Cp,liquid | 332.08 | 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 | -379.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.20 ± 0.50 | kJ/mol | NIST |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.95 | Relay (1.0) Calculated Property | |
| 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 | [975.00; 982.00] |
|
|
| Inp | 982.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 977.00 | NIST | |
| I | 1376.00 | NIST | |
| Tboil | 442.88 | K | Relay (1.0) Calculated Property |
| Tc | [625.10; 625.10] | K |
|
| Tc | 625.10 ± 0.50 | K | NIST |
| Tc | 625.10 | K | NIST |
| Tc | 625.10 ± 0.30 | K | NIST |
| Tfus | 244.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.515 | m3/kmol | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 337.60 | J/mol×K | 298.50 | NIST |
| ΔvapH | [54.80; 62.10] | kJ/mol | [395.00; 406.50] |
|
| ΔvapH | 62.10 | kJ/mol | 395.00 | NIST |
| ΔvapH | 57.30 | kJ/mol | 396.50 | NIST |
| ΔvapH | 54.80 | kJ/mol | 406.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.38; 451.27] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = 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 B | 8.03740e-01 | |||
| Coefficient C | -4.45000e-04 | |||
| Coefficient D | 9.33000e-08 | |||
| Coefficient E | 0.00000e+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 | [0.1178389; 0.0002779] | Pa×s | [225.74; 437.57] |
Joback Predicted correlation
|
| Equation | Y = 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 B | 2.82113e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 225.74 | |||
| Temperature range, max. | 437.57 | |||
| η | 0.1178389 | Pa×s | 225.74 | Calculated Property |
| η | 0.0362098 | Pa×s | 249.28 | Calculated Property |
| η | 0.0136392 | Pa×s | 272.81 | Calculated Property |
| η | 0.0059994 | Pa×s | 296.35 | Calculated Property |
| η | 0.0029779 | Pa×s | 319.89 | Calculated Property |
| η | 0.0016271 | Pa×s | 343.42 | Calculated Property |
| η | 0.0009607 | Pa×s | 366.96 | Calculated Property |
| η | 0.0006044 | Pa×s | 390.50 | Calculated Property |
| η | 0.0004009 | Pa×s | 414.03 | Calculated Property |
| η | 0.0002779 | Pa×s | 437.57 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [349.79; 466.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.62261e+01 | |||
| Coefficient B | -4.02955e+03 | |||
| Coefficient C | -9.69690e+01 | |||
| Temperature range, min. | 349.79 | |||
| Temperature range, max. | 466.16 | |||
| Pvap | 1.33 | kPa | 349.79 | Calculated Property |
| Pvap | 2.90 | kPa | 362.72 | Calculated Property |
| Pvap | 5.85 | kPa | 375.65 | Calculated Property |
| Pvap | 11.11 | kPa | 388.58 | Calculated Property |
| Pvap | 19.98 | kPa | 401.51 | Calculated Property |
| Pvap | 34.24 | kPa | 414.44 | Calculated Property |
| Pvap | 56.27 | kPa | 427.37 | Calculated Property |
| Pvap | 89.07 | kPa | 440.30 | Calculated Property |
| Pvap | 136.38 | kPa | 453.23 | Calculated Property |
| Pvap | 202.66 | kPa | 466.16 | Calculated Property |
| Pvap | [9.94e-03; 2.26] | kPa | [283.00; 353.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.63143e+01 | |||
| Coefficient B | -4.18240e+03 | |||
| Coefficient C | -8.31250e+01 | |||
| Reference | Geiseler, Fruwert, et al., 1966 | |||
| Temperature range, min. | 283.00 | |||
| Temperature range, max. | 353.00 | |||
| Pvap | 9.94e-03 | kPa | 283.00 | Calculated Property |
| Pvap | 0.02 | kPa | 290.78 | Calculated Property |
| Pvap | 0.05 | kPa | 298.56 | Calculated Property |
| Pvap | 0.09 | kPa | 306.33 | Calculated Property |
| Pvap | 0.17 | kPa | 314.11 | Calculated Property |
| Pvap | 0.30 | kPa | 321.89 | Calculated Property |
| Pvap | 0.52 | kPa | 329.67 | Calculated Property |
| Pvap | 0.88 | kPa | 337.44 | Calculated Property |
| Pvap | 1.43 | kPa | 345.22 | Calculated Property |
| Pvap | 2.26 | kPa | 353.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Octanol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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