- InChI
- InChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2
- InChI Key
- FENJKTQEFUPECW-UHFFFAOYSA-N
- Formula
- C9H10N2
- SMILES
- N#CCCNc1ccccc1
- Molecular Weight1
- 146.19
- CAS
- 1075-76-9
- Other Names
-
- («beta»-Cyanoethyl)aniline
- 2-Phenylaminopropionitrile
- 3-(Phenylamino)propanenitrile
- 3-Phenylamino-propionitrile
- 3-anilinopropanenitrile
- 3-anilinopropionitrile
- Aniline, N-beta-cyanoethyl-
- N-(2-Cyanoethyl)aniline
- N-(Cyanoethyl)aniline
- N-(«beta»-Cyanoethyl)aniline
- NSC 80663
- Propanenitrile, 3-anilino-
- Propionitrile, 3-anilino-
- «beta»-Anilinopropanenitrile
- «beta»-Anilinopropionitrile
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 359.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 225.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.40 | kJ/mol | Heat ca... |
| ΔvapH° | 54.82 | kJ/mol | Joback Calculated Property |
| log10WS | -2.18 | Crippen Calculated Property | |
| logPoct/wat | 2.012 | Crippen Calculated Property | |
| McVol | 125.270 | ml/mol | McGowan Calculated Property |
| Pc | 3217.33 | kPa | Joback Calculated Property |
| Tboil | 584.25 | K | Joback Calculated Property |
| Tc | 810.87 | K | Joback Calculated Property |
| Tfus | 335.26 | K | Joback Calculated Property |
| Vc | 0.492 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.07; 346.52] | J/mol×K | [584.25; 810.87] | 
|
| Cp,gas | 288.07 | J/mol×K | 584.25 | Joback Calculated Property |
| Cp,gas | 299.67 | J/mol×K | 622.02 | Joback Calculated Property |
| Cp,gas | 310.48 | J/mol×K | 659.79 | Joback Calculated Property |
| Cp,gas | 320.53 | J/mol×K | 697.56 | Joback Calculated Property |
| Cp,gas | 329.85 | J/mol×K | 735.33 | Joback Calculated Property |
| Cp,gas | 338.51 | J/mol×K | 773.10 | Joback Calculated Property |
| Cp,gas | 346.52 | J/mol×K | 810.87 | Joback Calculated Property |
| ΔfusH | 19.40 | kJ/mol | 218.00 | NIST |
Similar Compounds
Find more compounds similar to Propanenitrile, 3-(phenylamino)-.
Sources
- Crippen Method
- Crippen Method
- Heat capacity and thermodynamic properties of N-(2-cyanoethyl) aniline (C9H10N2)
- Joback Method
- McGowan Method
- NIST Webbook
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