- 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
- ω : Acentric Factor.
- 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).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4238 | Relay (1.0) Calculated Property | |
| ΔfG° | 221.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) 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 | 491.24 | K | Relay (1.0) Calculated Property |
| Tc | 717.77 | K | Relay (1.0) Calculated Property |
| Tfus | 244.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.525 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.18; 506.28] | 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 | -6.06800e+01 | |||
| Coefficient B | 1.16356e+00 | |||
| Coefficient C | -8.24200e-04 | |||
| Coefficient D | 2.27600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 200.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 257.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 307.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 351.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 388.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 419.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 446.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 469.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 489.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 506.28 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentorex.
Sources
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