- InChI
- InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3/i1D3,2D3,4D2,5D2,6D2,7D2,8D
- InChI Key
- JVSWJIKNEAIKJW-MPQGGVBNSA-N
- Formula
- C8H3D15
- SMILES
- CCCCCC(C)C
- Molecular Weight1
- 129.32
- 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 | 0.3745 | Relay (1.0) Calculated Property | |
| ΔfG° | 14.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -218.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.04 | Relay (1.0) 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 | 760.36 | NIST | |
| Tboil | 390.87 | K | Relay (1.0) Calculated Property |
| Tc | 560.17 | K | Relay (1.0) Calculated Property |
| Tfus | 176.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.23; 305.58] | J/mol×K | [382.20; 549.48] | 
|
| Cp,gas | 232.23 | J/mol×K | 382.20 | Joback Calculated Property |
| Cp,gas | 245.63 | J/mol×K | 410.08 | Joback Calculated Property |
| Cp,gas | 258.55 | J/mol×K | 437.96 | Joback Calculated Property |
| Cp,gas | 270.99 | J/mol×K | 465.84 | Joback Calculated Property |
| Cp,gas | 282.97 | J/mol×K | 493.72 | Joback Calculated Property |
| Cp,gas | 294.49 | J/mol×K | 521.60 | Joback Calculated Property |
| Cp,gas | 305.58 | J/mol×K | 549.48 | Joback Calculated Property |
| η | [0.0002369; 0.0105616] | Pa×s | [164.92; 382.20] |
|
| η | 0.0105616 | Pa×s | 164.92 | Joback Calculated Property |
| η | 0.0031729 | Pa×s | 201.13 | Joback Calculated Property |
| η | 0.0013758 | Pa×s | 237.35 | Joback Calculated Property |
| η | 0.0007443 | Pa×s | 273.56 | Joback Calculated Property |
| η | 0.0004648 | Pa×s | 309.77 | Joback Calculated Property |
| η | 0.0003204 | Pa×s | 345.99 | Joback Calculated Property |
| η | 0.0002369 | Pa×s | 382.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylheptane-d18.
Sources
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