- InChI
- InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3
- InChI Key
- WFLSCFISQHLEED-UHFFFAOYSA-N
- Formula
- C16H24N2
- SMILES
-
CC(CC(C#N)(c1ccccc1)C(C)C)N(C)
C - Molecular Weight1
- 244.38
- CAS
- 77-51-0
- Other Names
-
- Benzeneacetonitrile, «alpha»-[2-(dimethylamino)propyl]-«alpha»-(1-methylethyl)-
- Valeronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-
- «alpha»-[«beta»-(Dimethylamino)propyl]-«alpha»-isopropylphenylacetonitrile
- «alpha»-Isopropyl-«alpha»-[2-(dimethylamino)propyl]phenylacetonitrile
- Aprecon
- Dimyril
- Isoaminil
- Nullatuss
- TAT-1
- 4-Dimethylamino-2-isopropyl-2-phenylvaleronitrile
- 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.
- 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 | 0.5154 | Relay (1.0) Calculated Property | |
| ΔfG° | 438.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 121.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.444 | Crippen Calculated Property | |
| McVol | 223.900 | ml/mol | McGowan Calculated Property |
| Pc | 1714.61 | kPa | Joback Calculated Property |
| Inp | [1830.00; 1830.00] |
|
|
| Inp | 1830.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Tboil | 575.02 | K | Relay (1.0) Calculated Property |
| Tc | 810.60 | K | Relay (1.0) Calculated Property |
| Tfus | 366.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.771 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [630.88; 719.10] | J/mol×K | [702.57; 920.71] |
|
| Cp,gas | 630.88 | J/mol×K | 702.57 | Joback Calculated Property |
| Cp,gas | 648.31 | J/mol×K | 738.93 | Joback Calculated Property |
| Cp,gas | 664.53 | J/mol×K | 775.28 | Joback Calculated Property |
| Cp,gas | 679.64 | J/mol×K | 811.64 | Joback Calculated Property |
| Cp,gas | 693.70 | J/mol×K | 848.00 | Joback Calculated Property |
| Cp,gas | 706.83 | J/mol×K | 884.35 | Joback Calculated Property |
| Cp,gas | 719.10 | J/mol×K | 920.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isoaminile.
Sources
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