- InChI
- InChI=1S/C8H18O2/c1-3-4-5-6-8(10)7(2)9/h7-10H,3-6H2,1-2H3
- InChI Key
- XMTUJCWABCYSIV-UHFFFAOYSA-N
- Formula
- C8H18O2
- SMILES
- CCCCCC(O)C(C)O
- Molecular Weight1
- 146.23
- 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).
- Ip : 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 | 0.7314 | Relay (1.0) Calculated Property | |
| ΔfG° | -262.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.308 | Crippen Calculated Property | |
| McVol | 135.320 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Ip | 1613.00 | NIST | |
| Tboil | 495.38 | K | Relay (1.0) Calculated Property |
| Tc | 664.88 | K | Relay (1.0) Calculated Property |
| Tfus | 310.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.516 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.57; 470.47] | 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 | 2.83400e+00 | |||
| Coefficient B | 8.43640e-01 | |||
| Coefficient C | -4.78600e-04 | |||
| Coefficient D | 1.02600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 199.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 245.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 287.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 324.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 357.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 386.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 411.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 434.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 453.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 470.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.2642980; 0.0001005] | Pa×s | [271.56; 509.55] |
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 | -1.81908e+01 | |||
| Coefficient B | 4.57854e+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. | 271.56 | |||
| Temperature range, max. | 509.55 | |||
| η | 0.2642980 | Pa×s | 271.56 | Calculated Property |
| η | 0.0592058 | Pa×s | 298.00 | Calculated Property |
| η | 0.0169255 | Pa×s | 324.45 | Calculated Property |
| η | 0.0058437 | Pa×s | 350.89 | Calculated Property |
| η | 0.0023419 | Pa×s | 377.33 | Calculated Property |
| η | 0.0010579 | Pa×s | 403.77 | Calculated Property |
| η | 0.0005269 | Pa×s | 430.22 | Calculated Property |
| η | 0.0002845 | Pa×s | 456.66 | Calculated Property |
| η | 0.0001644 | Pa×s | 483.10 | Calculated Property |
| η | 0.0001005 | Pa×s | 509.55 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Octanediol.
Sources
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