- InChI
- InChI=1S/C29H37N/c1-4-29(2,3)27-19-21-28(22-20-27)30(23-11-17-25-13-7-5-8-14-25)24-12-18-26-15-9-6-10-16-26/h5-10,13-16,19-22H,4,11-12,17-18,23-24H2,1-3H3
- InChI Key
- IHBUEIMCUVOJJL-UHFFFAOYSA-N
- Formula
- C29H37N
- SMILES
-
CCC(C)(C)c1ccc(N(CCCc2ccccc2)C
CCc2ccccc2)cc1 - Molecular Weight1
- 399.61
- CAS
- 116436-27-2
- 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).
- 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° | 634.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 115.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.39 | kJ/mol | Joback Calculated Property |
| log10WS | -8.02 | Crippen Calculated Property | |
| logPoct/wat | 7.446 | Crippen Calculated Property | |
| McVol | 358.170 | ml/mol | McGowan Calculated Property |
| Pc | 1105.94 | kPa | Joback Calculated Property |
| Tboil | 957.15 | K | Joback Calculated Property |
| Tc | 1190.20 | K | Joback Calculated Property |
| Tfus | 543.26 | K | Joback Calculated Property |
| Vc | 1.343 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1175.59; 1274.86] | J/mol×K | [957.15; 1190.20] | 
|
| Cp,gas | 1175.59 | J/mol×K | 957.15 | Joback Calculated Property |
| Cp,gas | 1194.47 | J/mol×K | 995.99 | Joback Calculated Property |
| Cp,gas | 1212.18 | J/mol×K | 1034.83 | Joback Calculated Property |
| Cp,gas | 1228.90 | J/mol×K | 1073.67 | Joback Calculated Property |
| Cp,gas | 1244.81 | J/mol×K | 1112.51 | Joback Calculated Property |
| Cp,gas | 1260.07 | J/mol×K | 1151.36 | Joback Calculated Property |
| Cp,gas | 1274.86 | J/mol×K | 1190.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-tert-amyl-n,n-bis(3-phenylpropyl)aniline.
Sources
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