- InChI
- InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1D,2D,3D,4D,5D
- InChI Key
- PAYRUJLWNCNPSJ-RALIUCGRSA-N
- Formula
- C6H2D5N
- SMILES
- Nc1ccccc1
- Molecular Weight1
- 98.16
- CAS
- 4165-61-1
- Other Names
-
- Aniline-d5
- [2,3,4,5,6-2H5]aniline
- aniline-2,3,4,5,6-d5
- 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 | 0.4167 | Relay (1.0) Calculated Property | |
| ΔfG° | 178.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 105.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.269 | Crippen Calculated Property | |
| McVol | 81.620 | ml/mol | McGowan Calculated Property |
| Pc | 5058.59 | kPa | Joback Calculated Property |
| Tboil | 463.20 | K | Relay (1.0) Calculated Property |
| Tc | 702.36 | K | Relay (1.0) Calculated Property |
| Tfus | 253.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.275 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [95.88; 246.32] | 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 | -2.99800e+01 | |||
| Coefficient B | 5.56800e-01 | |||
| Coefficient C | -3.77200e-04 | |||
| Coefficient D | 9.67000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 95.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 124.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 148.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 170.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 188.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 204.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 217.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 228.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 238.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 246.32 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzen-d5-amine.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Deuterium isotope effects in liquid liquid phase diagrams of aniline + cyclohexane mixtures
- Joback Method
- McGowan Method
- NIST Webbook
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