- 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
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7905 | Relay (1.0) Calculated Property | |
| ΔfG° | -259.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.13 | Relay (1.0) 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 | 517.60 | K | Relay (1.0) Calculated Property |
| Tc | 702.57 | K | Relay (1.0) Calculated Property |
| Tfus | 281.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.88; 469.94] | 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 | 4.51600e+00 | |||
| Coefficient B | 8.37720e-01 | |||
| Coefficient C | -4.75400e-04 | |||
| Coefficient D | 1.03100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 199.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 245.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 287.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 324.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 356.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 385.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 411.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 433.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 452.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 469.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1095688; 0.0001095] | Pa×s | [286.56; 508.09] |
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 | -1.80568e+01 | |||
| Coefficient B | 4.54072e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 286.56 | |||
| Temperature range, max. | 508.09 | |||
| η | 0.1095688 | Pa×s | 286.56 | Calculated Property |
| η | 0.0312849 | Pa×s | 311.17 | Calculated Property |
| η | 0.0107346 | Pa×s | 335.79 | Calculated Property |
| η | 0.0042628 | Pa×s | 360.40 | Calculated Property |
| η | 0.0019050 | Pa×s | 385.02 | Calculated Property |
| η | 0.0009378 | Pa×s | 409.63 | Calculated Property |
| η | 0.0005003 | Pa×s | 434.25 | Calculated Property |
| η | 0.0002855 | Pa×s | 458.86 | Calculated Property |
| η | 0.0001725 | Pa×s | 483.48 | Calculated Property |
| η | 0.0001095 | Pa×s | 508.09 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [415.92; 539.24] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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