- InChI
- InChI=1S/C6H13NO/c1-5(8)4-6(2,3)7/h4,7H2,1-3H3
- InChI Key
- CQTRUFMMCCOKTA-UHFFFAOYSA-N
- Formula
- C6H13NO
- SMILES
- CC(=O)CC(C)(C)N
- Molecular Weight1
- 115.17
- CAS
- 625-04-7
- Other Names
-
- Diacetonamine
- 4-Amino-4-methyl-2-pentanone
- 4-amino-4-methylpentan-2-one
- 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).
- 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° | -59.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.04 | kJ/mol | Joback Calculated Property |
| log10WS | -1.16 | Crippen Calculated Property | |
| logPoct/wat | 0.703 | Crippen Calculated Property | |
| McVol | 106.950 | ml/mol | McGowan Calculated Property |
| Pc | 3650.93 | kPa | Joback Calculated Property |
| Tboil | 452.50 ± 1.50 | K | NIST |
| Tc | 663.86 | K | Joback Calculated Property |
| Tfus | 292.99 | K | Joback Calculated Property |
| Vc | 0.396 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.63; 293.06] | J/mol×K | [459.85; 663.86] | 
|
| Cp,gas | 231.63 | J/mol×K | 459.85 | Joback Calculated Property |
| Cp,gas | 243.50 | J/mol×K | 493.85 | Joback Calculated Property |
| Cp,gas | 254.68 | J/mol×K | 527.85 | Joback Calculated Property |
| Cp,gas | 265.19 | J/mol×K | 561.86 | Joback Calculated Property |
| Cp,gas | 275.07 | J/mol×K | 595.86 | Joback Calculated Property |
| Cp,gas | 284.34 | J/mol×K | 629.86 | Joback Calculated Property |
| Cp,gas | 293.06 | J/mol×K | 663.86 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 298.00 | K | 0.03 | NIST |
Similar Compounds
Find more compounds similar to 2-Pentanone, 4-amino-4-methyl-.
Sources
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