- InChI
- InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2
- InChI Key
- TVMXDCGIABBOFY-VAZJTQEUSA-N
- Formula
- C8D18
- SMILES
- CCCCCCCC
- Molecular Weight1
- 132.34
- CAS
- 17252-77-6
- Other Names
-
- (2H18)octane
- Octane-d
- octane-d18
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 41.40 | kJ/mol | NIST |
| 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 | [787.03; 787.03] |
|
|
| Inp | 787.03 | NIST | |
| Inp | 787.03 | 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 |
|---|---|---|---|---|
| ΔvapH | 41.35 | kJ/mol | 298.00 | Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.19; 432.06] | 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 | -4.38400e+00 | |||
| Coefficient B | 7.63840e-01 | |||
| Coefficient C | -4.11400e-04 | |||
| Coefficient D | 8.40000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 175.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 218.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 256.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 291.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 322.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 350.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 374.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 396.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 415.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 432.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0056079; 0.0002452] | Pa×s | [179.92; 382.32] |
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 | -1.10958e+01 | |||
| Coefficient B | 1.06372e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 179.92 | |||
| Temperature range, max. | 382.32 | |||
| η | 0.0056079 | Pa×s | 179.92 | Calculated Property |
| η | 0.0029075 | Pa×s | 202.41 | Calculated Property |
| η | 0.0017191 | Pa×s | 224.90 | Calculated Property |
| η | 0.0011183 | Pa×s | 247.39 | Calculated Property |
| η | 0.0007816 | Pa×s | 269.87 | Calculated Property |
| η | 0.0005772 | Pa×s | 292.36 | Calculated Property |
| η | 0.0004451 | Pa×s | 314.85 | Calculated Property |
| η | 0.0003553 | Pa×s | 337.34 | Calculated Property |
| η | 0.0002918 | Pa×s | 359.83 | Calculated Property |
| η | 0.0002452 | Pa×s | 382.32 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane-d18-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
- Joback Method
- McGowan Method
- NIST Webbook
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