- InChI
- InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3/i1D3,3D3,4D2,6D2,7D2,8D
- InChI Key
- LAIUFBWHERIJIH-IVPOXXCHSA-N
- Formula
- C8H5D13
- SMILES
- CCCCC(C)CC
- 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° | 14.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.01 | kJ/mol | Joback Calculated Property |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 123.580 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | [763.71; 763.71] |
|
|
| Inp | 763.71 | NIST | |
| Inp | 763.71 | NIST | |
| Tboil | 382.00 | K | Joback Calculated Property |
| Tc | 549.20 | K | Joback Calculated Property |
| Tfus | 164.92 | K | Joback Calculated Property |
| Vc | 0.477 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.14; 305.46] | J/mol×K | [382.00; 549.20] |
|
| Cp,gas | 232.14 | J/mol×K | 382.00 | Joback Calculated Property |
| Cp,gas | 245.53 | J/mol×K | 409.87 | Joback Calculated Property |
| Cp,gas | 258.44 | J/mol×K | 437.73 | Joback Calculated Property |
| Cp,gas | 270.88 | J/mol×K | 465.60 | Joback Calculated Property |
| Cp,gas | 282.86 | J/mol×K | 493.46 | Joback Calculated Property |
| Cp,gas | 294.38 | J/mol×K | 521.33 | Joback Calculated Property |
| Cp,gas | 305.46 | J/mol×K | 549.20 | Joback Calculated Property |
| η | [0.0002373; 0.0105616] | Pa×s | [164.92; 382.00] |
|
| η | 0.0105616 | Pa×s | 164.92 | Joback Calculated Property |
| η | 0.0031758 | Pa×s | 201.10 | Joback Calculated Property |
| η | 0.0013776 | Pa×s | 237.28 | Joback Calculated Property |
| η | 0.0007454 | Pa×s | 273.46 | Joback Calculated Property |
| η | 0.0004656 | Pa×s | 309.64 | Joback Calculated Property |
| η | 0.0003209 | Pa×s | 345.82 | Joback Calculated Property |
| η | 0.0002373 | Pa×s | 382.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-C2H5-Hexane-d13.
Sources
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