- InChI
- InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,3D2,5D2,7D2
- InChI Key
- TVMXDCGIABBOFY-NPNXCVMYSA-N
- Formula
- C8H9D9
- SMILES
- CCCCCCCC
- Molecular Weight1
- 123.28
- 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).
- 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 | 0.4191 | Relay (1.0) Calculated Property | |
| ΔfG° | 16.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.19 | Relay (1.0) 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 | [793.54; 793.54] |
|
|
| Inp | 793.54 | NIST | |
| Inp | 793.54 | NIST | |
| Tboil | 406.04 | K | Relay (1.0) Calculated Property |
| Tc | 572.56 | K | Relay (1.0) Calculated Property |
| Tfus | 212.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.36; 303.77] | J/mol×K | [382.64; 546.17] |
|
| Cp,gas | 232.36 | J/mol×K | 382.64 | Joback Calculated Property |
| Cp,gas | 245.37 | J/mol×K | 409.89 | Joback Calculated Property |
| Cp,gas | 257.93 | J/mol×K | 437.15 | Joback Calculated Property |
| Cp,gas | 270.03 | J/mol×K | 464.40 | Joback Calculated Property |
| Cp,gas | 281.70 | J/mol×K | 491.66 | Joback Calculated Property |
| Cp,gas | 292.94 | J/mol×K | 518.91 | Joback Calculated Property |
| Cp,gas | 303.77 | J/mol×K | 546.17 | Joback Calculated Property |
| η | [0.0002446; 0.0056079] | Pa×s | [179.92; 382.64] |
|
| η | 0.0056079 | Pa×s | 179.92 | Joback Calculated Property |
| η | 0.0022022 | Pa×s | 213.71 | Joback Calculated Property |
| η | 0.0011162 | Pa×s | 247.49 | Joback Calculated Property |
| η | 0.0006661 | Pa×s | 281.28 | Joback Calculated Property |
| η | 0.0004440 | Pa×s | 315.07 | Joback Calculated Property |
| η | 0.0003202 | Pa×s | 348.85 | Joback Calculated Property |
| η | 0.0002446 | Pa×s | 382.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octane-1,2,3,4-d9.
Sources
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