- InChI
- InChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3
- InChI Key
- DCTMXCOHGKSXIZ-UHFFFAOYSA-N
- Formula
- C8H18O2
- SMILES
- CCCCCC(O)CCO
- Molecular Weight1
- 146.23
- CAS
- 23433-05-8
- Other Names
-
- Propane-1,3-diol, 1-pentyl-
- octane-1,3-diol
- Cp,gas : Ideal gas 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).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | -259.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.37 | kJ/mol | Joback Calculated Property |
| log10WS | -1.81 | Crippen Calculated Property | |
| logPoct/wat | 1.310 | Crippen Calculated Property | |
| McVol | 135.320 | ml/mol | McGowan Calculated Property |
| Pc | 3107.10 | kPa | Joback Calculated Property |
| Inp | 1275.00 | NIST | |
| Tboil | 566.36 | K | Joback Calculated Property |
| Tc | 725.59 | K | Joback Calculated Property |
| Tfus | 286.56 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.21; 401.45] | J/mol×K | [566.36; 725.59] | 
|
| Cp,gas | 345.21 | J/mol×K | 566.36 | Joback Calculated Property |
| Cp,gas | 355.57 | J/mol×K | 592.90 | Joback Calculated Property |
| Cp,gas | 365.52 | J/mol×K | 619.44 | Joback Calculated Property |
| Cp,gas | 375.08 | J/mol×K | 645.97 | Joback Calculated Property |
| Cp,gas | 384.24 | J/mol×K | 672.51 | Joback Calculated Property |
| Cp,gas | 393.03 | J/mol×K | 699.05 | Joback Calculated Property |
| Cp,gas | 401.45 | J/mol×K | 725.59 | Joback Calculated Property |
| η | [0.0000436; 0.1095688] | Pa×s | [286.56; 566.36] |
|
| η | 0.1095688 | Pa×s | 286.56 | Joback Calculated Property |
| η | 0.0119272 | Pa×s | 333.19 | Joback Calculated Property |
| η | 0.0022382 | Pa×s | 379.83 | Joback Calculated Property |
| η | 0.0006056 | Pa×s | 426.46 | Joback Calculated Property |
| η | 0.0002120 | Pa×s | 473.09 | Joback Calculated Property |
| η | 0.0000896 | Pa×s | 519.73 | Joback Calculated Property |
| η | 0.0000436 | Pa×s | 566.36 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [415.92; 539.24] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.85814e+01 | |||
| Coefficient B | -5.95865e+03 | |||
| Coefficient C | -9.02000e+01 | |||
| Temperature range, min. | 415.92 | |||
| Temperature range, max. | 539.24 | |||
| Pvap | 1.33 | kPa | 415.92 | Calculated Property |
| Pvap | 2.79 | kPa | 429.62 | Calculated Property |
| Pvap | 5.51 | kPa | 443.32 | Calculated Property |
| Pvap | 10.36 | kPa | 457.03 | Calculated Property |
| Pvap | 18.59 | kPa | 470.73 | Calculated Property |
| Pvap | 32.03 | kPa | 484.43 | Calculated Property |
| Pvap | 53.22 | kPa | 498.13 | Calculated Property |
| Pvap | 85.55 | kPa | 511.84 | Calculated Property |
| Pvap | 133.48 | kPa | 525.54 | Calculated Property |
| Pvap | 202.68 | kPa | 539.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Octanediol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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