- InChI
- InChI=1S/C6H13NO/c1-5(2)6(8)7(3)4/h5H,1-4H3
- InChI Key
- GXMIHVHJTLPVKL-UHFFFAOYSA-N
- Formula
- C6H13NO
- SMILES
- CC(C)C(=O)N(C)C
- Molecular Weight1
- 115.17
- CAS
- 21678-37-5
- Other Names
-
- i-C3H7CON(CH3)2
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 923.70 | kJ/mol | NIST |
| BasG | 891.80 | kJ/mol | NIST |
| ΔfG° | -20.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.35 | kJ/mol | Joback Calculated Property |
| log10WS | -0.44 | Crippen Calculated Property | |
| logPoct/wat | 0.731 | Crippen Calculated Property | |
| McVol | 106.950 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Inp | [959.00; 959.00] |
|
|
| Inp | 959.00 | NIST | |
| Inp | 959.00 | NIST | |
| Tboil | 402.55 | K | Joback Calculated Property |
| Tc | 582.63 | K | Joback Calculated Property |
| Tfus | 224.78 | K | Joback Calculated Property |
| Vc | 0.390 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.39; 267.83] | J/mol×K | [402.55; 582.63] |
|
| Cp,gas | 205.39 | J/mol×K | 402.55 | Joback Calculated Property |
| Cp,gas | 217.03 | J/mol×K | 432.56 | Joback Calculated Property |
| Cp,gas | 228.16 | J/mol×K | 462.58 | Joback Calculated Property |
| Cp,gas | 238.79 | J/mol×K | 492.59 | Joback Calculated Property |
| Cp,gas | 248.94 | J/mol×K | 522.60 | Joback Calculated Property |
| Cp,gas | 258.61 | J/mol×K | 552.61 | Joback Calculated Property |
| Cp,gas | 267.83 | J/mol×K | 582.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N,2-trimethyl.
Sources
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