- InChI
- InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,3D2,5D2,6D2,7D2,8D2
- InChI Key
- TVMXDCGIABBOFY-SMTKFEHLSA-N
- Formula
- C8H5D13
- SMILES
- CCCCCCCC
- Molecular Weight1
- 127.31
- 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).
- 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° | 16.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 3.367 | Crippen Calculated Property | |
| McVol | 123.580 | ml/mol | McGowan Calculated Property |
| Pc | 2535.37 | kPa | Joback Calculated Property |
| Inp | [790.86; 790.86] |
|
|
| Inp | 790.86 | NIST | |
| Inp | 790.86 | NIST | |
| Tboil | 382.44 | K | Joback Calculated Property |
| Tc | 545.88 | K | Joback Calculated Property |
| Tfus | 179.92 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.27; 303.65] | J/mol×K | [382.44; 545.88] |
|
| Cp,gas | 232.27 | J/mol×K | 382.44 | Joback Calculated Property |
| Cp,gas | 245.27 | J/mol×K | 409.68 | Joback Calculated Property |
| Cp,gas | 257.82 | J/mol×K | 436.92 | Joback Calculated Property |
| Cp,gas | 269.93 | J/mol×K | 464.16 | Joback Calculated Property |
| Cp,gas | 281.59 | J/mol×K | 491.40 | Joback Calculated Property |
| Cp,gas | 292.83 | J/mol×K | 518.64 | Joback Calculated Property |
| Cp,gas | 303.65 | J/mol×K | 545.88 | Joback Calculated Property |
| η | [0.0002450; 0.0056079] | Pa×s | [179.92; 382.44] |
|
| η | 0.0056079 | Pa×s | 179.92 | Joback Calculated Property |
| η | 0.0022039 | Pa×s | 213.67 | Joback Calculated Property |
| η | 0.0011175 | Pa×s | 247.43 | Joback Calculated Property |
| η | 0.0006670 | Pa×s | 281.18 | Joback Calculated Property |
| η | 0.0004447 | Pa×s | 314.93 | Joback Calculated Property |
| η | 0.0003207 | Pa×s | 348.69 | Joback Calculated Property |
| η | 0.0002450 | Pa×s | 382.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octane-1,2,3,4,5,6-d13.
Sources
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