- InChI
- InChI=1S/C10H21N/c1-10(2,11)8-9-6-4-3-5-7-9/h9H,3-8,11H2,1-2H3
- InChI Key
- KZVACGSZWDLFHD-UHFFFAOYSA-N
- Formula
- C10H21N
- SMILES
- CC(C)(N)CC1CCCCC1
- Molecular Weight1
- 155.28
- CAS
- 5531-31-7
- 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 | 0.4278 | Relay (1.0) Calculated Property | |
| ΔfG° | 127.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.694 | Crippen Calculated Property | |
| McVol | 150.880 | ml/mol | McGowan Calculated Property |
| Pc | 2778.85 | kPa | Joback Calculated Property |
| Inp | [1152.00; 1167.00] |
|
|
| Inp | 1167.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1167.00 | NIST | |
| I | [1359.00; 1359.00] |
|
|
| I | 1359.00 | NIST | |
| I | 1359.00 | NIST | |
| I | 1359.00 | NIST | |
| Tboil | 479.24 | K | Relay (1.0) Calculated Property |
| Tc | 688.41 | K | Relay (1.0) Calculated Property |
| Tfus | 214.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.41; 557.75] | 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 | -8.97890e+01 | |||
| Coefficient B | 1.26364e+00 | |||
| Coefficient C | -8.16400e-04 | |||
| Coefficient D | 2.00300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 198.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 263.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 321.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 372.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 415.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 453.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 486.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 513.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 537.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 557.75 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Perhydrophentermine.
Sources
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