- InChI
- InChI=1S/C13H19NO/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12/h5-11H,1-4H3
- InChI Key
- UYXMMJPYFKRKKM-UHFFFAOYSA-N
- Formula
- C13H19NO
- SMILES
- CC(C)N(C(=O)c1ccccc1)C(C)C
- Molecular Weight1
- 205.30
- CAS
- 20383-28-2
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 147.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -130.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 2.946 | Crippen Calculated Property | |
| McVol | 181.820 | ml/mol | McGowan Calculated Property |
| Pc | 2361.07 | kPa | Joback Calculated Property |
| Inp | [1524.00; 1524.00] |
|
|
| Inp | 1524.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Tboil | 588.95 | K | Joback Calculated Property |
| Tc | 799.49 | K | Joback Calculated Property |
| Tfus | 315.09 | K | Joback Calculated Property |
| Vc | 0.667 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.53; 543.44] | J/mol×K | [588.95; 799.49] |
|
| Cp,gas | 454.53 | J/mol×K | 588.95 | Joback Calculated Property |
| Cp,gas | 471.93 | J/mol×K | 624.04 | Joback Calculated Property |
| Cp,gas | 488.23 | J/mol×K | 659.13 | Joback Calculated Property |
| Cp,gas | 503.48 | J/mol×K | 694.22 | Joback Calculated Property |
| Cp,gas | 517.73 | J/mol×K | 729.31 | Joback Calculated Property |
| Cp,gas | 531.03 | J/mol×K | 764.40 | Joback Calculated Property |
| Cp,gas | 543.44 | J/mol×K | 799.49 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 423.00 ± 2.00 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to N,N-Diisopropylbenzamide.
Sources
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