- 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° | 52.83 | 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 | 705.69 | K | Relay (1.0) Calculated Property |
| Tfus | 251.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.285 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.06; 202.11] | J/mol×K | [435.89; 666.01] | 
|
| Cp,gas | 149.06 | J/mol×K | 435.89 | Joback Calculated Property |
| Cp,gas | 159.56 | J/mol×K | 474.24 | Joback Calculated Property |
| Cp,gas | 169.35 | J/mol×K | 512.60 | Joback Calculated Property |
| Cp,gas | 178.46 | J/mol×K | 550.95 | Joback Calculated Property |
| Cp,gas | 186.94 | J/mol×K | 589.30 | Joback Calculated Property |
| Cp,gas | 194.81 | J/mol×K | 627.66 | Joback Calculated Property |
| Cp,gas | 202.11 | J/mol×K | 666.01 | Joback 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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