- InChI
- InChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h7-9H,4-6H2,1-3H3/b8-7+
- InChI Key
- RXYSIDRRVRTDIF-BQYQJAHWSA-N
- Formula
- C9H18
- SMILES
- CCCCC=CC(C)C
- Molecular Weight1
- 126.24
- CAS
- 52937-36-7
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3356 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -144.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.389 | Crippen Calculated Property | |
| McVol | 133.370 | ml/mol | McGowan Calculated Property |
| Pc | 2445.89 | kPa | Joback Calculated Property |
| Tboil | 397.36 | K | Relay (1.0) Calculated Property |
| Tc | 567.41 | K | Relay (1.0) Calculated Property |
| Tfus | 163.38 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.13; 335.59] | J/mol×K | [409.24; 584.36] | 
|
| Cp,gas | 258.13 | J/mol×K | 409.24 | Joback Calculated Property |
| Cp,gas | 272.52 | J/mol×K | 438.43 | Joback Calculated Property |
| Cp,gas | 286.29 | J/mol×K | 467.61 | Joback Calculated Property |
| Cp,gas | 299.46 | J/mol×K | 496.80 | Joback Calculated Property |
| Cp,gas | 312.06 | J/mol×K | 525.99 | Joback Calculated Property |
| Cp,gas | 324.09 | J/mol×K | 555.17 | Joback Calculated Property |
| Cp,gas | 335.59 | J/mol×K | 584.36 | Joback Calculated Property |
| η | [0.0001933; 0.0104021] | Pa×s | [171.11; 409.24] |
|
| η | 0.0104021 | Pa×s | 171.11 | Joback Calculated Property |
| η | 0.0028648 | Pa×s | 210.80 | Joback Calculated Property |
| η | 0.0011872 | Pa×s | 250.49 | Joback Calculated Property |
| η | 0.0006261 | Pa×s | 290.18 | Joback Calculated Property |
| η | 0.0003851 | Pa×s | 329.86 | Joback Calculated Property |
| η | 0.0002630 | Pa×s | 369.55 | Joback Calculated Property |
| η | 0.0001933 | Pa×s | 409.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Methyl-3-octene.
Sources
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