- InChI
- InChI=1S/C13H21N/c1-3-5-6-7-12-8-10-13(11-9-12)14-4-2/h8-11,14H,3-7H2,1-2H3
- InChI Key
- LLCICSCPINCSQS-UHFFFAOYSA-N
- Formula
- C13H21N
- SMILES
- CCCCCc1ccc(NCC)cc1
- Molecular Weight1
- 191.32
- 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).
- 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 | 0.6240 | Relay (1.0) Calculated Property | |
| ΔfG° | 250.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -63.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.851 | Crippen Calculated Property | |
| McVol | 180.250 | ml/mol | McGowan Calculated Property |
| Pc | 2189.73 | kPa | Joback Calculated Property |
| Tboil | 555.72 | K | Relay (1.0) Calculated Property |
| Tc | 773.53 | K | Relay (1.0) Calculated Property |
| Tfus | 263.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.74; 605.33] | 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 | -2.97450e+01 | |||
| Coefficient B | 1.17664e+00 | |||
| Coefficient C | -6.96160e-04 | |||
| Coefficient D | 1.54600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 242.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 306.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 362.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 412.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 457.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 495.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 529.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 558.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 583.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 605.33 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, n-ethyl-p-pentyl.
Sources
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