- InChI
- InChI=1S/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3
- InChI Key
- REJGDSCBQPJPQT-UHFFFAOYSA-N
- Formula
- C18H31N
- SMILES
-
CC(C)(C)c1cc(C(C)(C)C)c(N)c(C(
C)(C)C)c1 - Molecular Weight1
- 261.45
- CAS
- 961-38-6
- Other Names
-
- 2,4,6-tri-tert-Butylaniline
- 2,4,6-tri-t-Butylaniline
- Aniline, tri-tert-butyl-
- Aniline, 2,4,6-tri-tert-butyl-
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.6230 | Relay (... Calculated Property | |
| ΔfG° | 259.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.58 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.21 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 92.50 ± 1.10 | kJ/mol | NIST |
| ΔvapH° | 79.60 | kJ/mol | Relay (... Calculated Property |
| IE | [6.90; 7.30] | eV |
|
| IE | 6.90 | eV | NIST |
| IE | 7.30 | eV | NIST |
| log10WS | -5.91 | Relay (... Calculated Property | |
| logPoct/wat | 5.161 | Crippen Calculated Property | |
| McVol | 250.700 | ml/mol | McGowan Calculated Property |
| Pc | 1542.71 | kPa | Joback Calculated Property |
| Tboil | 575.32 | K | Relay (... Calculated Property |
| Tc | 810.99 | K | Relay (... Calculated Property |
| Tfus | 365.96 | K | Relay (... Calculated Property |
| Vc | 0.947 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [736.39; 839.43] | J/mol×K | [715.70; 941.27] |
|
| Cp,gas | 736.39 | J/mol×K | 715.70 | Joback Calculated Property |
| Cp,gas | 756.58 | J/mol×K | 753.30 | Joback Calculated Property |
| Cp,gas | 775.40 | J/mol×K | 790.89 | Joback Calculated Property |
| Cp,gas | 792.98 | J/mol×K | 828.49 | Joback Calculated Property |
| Cp,gas | 809.43 | J/mol×K | 866.08 | Joback Calculated Property |
| Cp,gas | 824.87 | J/mol×K | 903.68 | Joback Calculated Property |
| Cp,gas | 839.43 | J/mol×K | 941.27 | Joback Calculated Property |
| ΔfusH | 19.38 | kJ/mol | 426.40 | NIST |
Similar Compounds
Find more compounds similar to Benzenamine, 2,4,6-tris(1,1-dimethylethyl)-.
Sources
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