- InChI
- InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3
- InChI Key
- AEIJTFQOBWATKX-UHFFFAOYSA-N
- Formula
- C8H18O2
- SMILES
- CCCCCCC(O)CO
- Molecular Weight1
- 146.23
- CAS
- 1117-86-8
- Other Names
-
- 1,2-Dihydroxyoctane
- 1,2-Octylene glycol
- octane-1,2-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).
- Tboilr : Boiling point at reduced pressure (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 | 0.8019 | Relay (1.0) Calculated Property | |
| ΔfG° | -259.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.38 | 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 | [1204.00; 1214.00] |
|
|
| Inp | 1204.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Tboil | 516.74 | K | Relay (1.0) Calculated Property |
| Tc | 708.18 | K | Relay (1.0) Calculated Property |
| Tfus | [302.65; 304.15] | K |
|
| Tfus | 304.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 302.65 ± 1.50 | K | NIST |
| Tfus | 303.40 ± 0.30 | K | NIST |
| Vc | 0.510 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 404.70 | K | 1.30 | NIST |
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 | [0.0454700; 0.0001095] | Pa×s | [303.40; 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. | 303.40 | |||
| Temperature range, max. | 508.09 | |||
| η | 0.0454700 | Pa×s | 303.40 | Calculated Property |
| η | 0.0160130 | Pa×s | 326.14 | Calculated Property |
| η | 0.0064612 | Pa×s | 348.89 | Calculated Property |
| η | 0.0029134 | Pa×s | 371.63 | Calculated Property |
| η | 0.0014401 | Pa×s | 394.37 | Calculated Property |
| η | 0.0007687 | Pa×s | 417.12 | Calculated Property |
| η | 0.0004378 | Pa×s | 439.86 | Calculated Property |
| η | 0.0002636 | Pa×s | 462.60 | Calculated Property |
| η | 0.0001664 | Pa×s | 485.35 | Calculated Property |
| η | 0.0001095 | Pa×s | 508.09 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [407.12; 541.93] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.72361e+01 | |||
| Coefficient B | -5.42315e+03 | |||
| Coefficient C | -8.71420e+01 | |||
| Temperature range, min. | 407.12 | |||
| Temperature range, max. | 541.93 | |||
| Pvap | 1.33 | kPa | 407.12 | Calculated Property |
| Pvap | 2.84 | kPa | 422.10 | Calculated Property |
| Pvap | 5.69 | kPa | 437.08 | Calculated Property |
| Pvap | 10.75 | kPa | 452.06 | Calculated Property |
| Pvap | 19.31 | kPa | 467.04 | Calculated Property |
| Pvap | 33.19 | kPa | 482.01 | Calculated Property |
| Pvap | 54.82 | kPa | 496.99 | Calculated Property |
| Pvap | 87.41 | kPa | 511.97 | Calculated Property |
| Pvap | 135.02 | kPa | 526.95 | Calculated Property |
| Pvap | 202.66 | kPa | 541.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Octanediol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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