- 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
- 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 | 0.8642 | Relay (1.0) Calculated Property | |
| ΔfG° | 634.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 90.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.27 | Relay (1.0) 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 | 728.29 | K | Relay (1.0) Calculated Property |
| Tc | 994.00 | K | Relay (1.0) Calculated Property |
| Tfus | 343.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.301 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.51; 1196.35] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.46053e+02 | |||
| Coefficient B | 2.71236e+00 | |||
| Coefficient C | -1.86476e-03 | |||
| Coefficient D | 4.94800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 465.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 602.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 721.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 824.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 912.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 988.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1053.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1108.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1155.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1196.35 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to P-tert-amyl-n,n-bis(3-phenylpropyl)aniline.
Sources
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