- InChI
- InChI=1S/C11H17N/c1-9(11(2,3)12)10-7-5-4-6-8-10/h4-9H,12H2,1-3H3
- InChI Key
- UMWAUEZOGHNSCH-UHFFFAOYSA-N
- Formula
- C11H17N
- SMILES
- CC(c1ccccc1)C(C)(C)N
- Molecular Weight1
- 163.26
- CAS
- 434-43-5
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- I : 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° | 221.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -14.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.31 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.527 | Crippen Calculated Property | |
| McVol | 152.070 | ml/mol | McGowan Calculated Property |
| Pc | 2893.62 | kPa | Joback Calculated Property |
| Inp | [1256.00; 1261.00] |
|
|
| Inp | 1256.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1256.00 | NIST | |
| I | [1648.00; 1648.00] |
|
|
| I | 1648.00 | NIST | |
| I | 1648.00 | NIST | |
| I | 1648.00 | NIST | |
| Tboil | 546.62 | K | Joback Calculated Property |
| Tc | 777.66 | K | Joback Calculated Property |
| Tfus | 310.83 | K | Joback Calculated Property |
| Vc | 0.555 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.25; 452.77] | J/mol×K | [546.62; 777.66] |
|
| Cp,gas | 366.25 | J/mol×K | 546.62 | Joback Calculated Property |
| Cp,gas | 383.56 | J/mol×K | 585.13 | Joback Calculated Property |
| Cp,gas | 399.61 | J/mol×K | 623.63 | Joback Calculated Property |
| Cp,gas | 414.48 | J/mol×K | 662.14 | Joback Calculated Property |
| Cp,gas | 428.24 | J/mol×K | 700.65 | Joback Calculated Property |
| Cp,gas | 440.98 | J/mol×K | 739.16 | Joback Calculated Property |
| Cp,gas | 452.77 | J/mol×K | 777.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentorex.
Sources
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