- InChI
- InChI=1S/C7H14N2O2/c1-4(2)6(7(8)11)9-5(3)10/h4,6H,1-3H3,(H2,8,11)(H,9,10)
- InChI Key
- WEHJKQHCMGQEEF-UHFFFAOYSA-N
- Formula
- C7H14N2O2
- SMILES
- CC(=O)NC(C(N)=O)C(C)C
- Molecular Weight1
- 158.20
- CAS
- 37933-88-3
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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° | -98.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.33 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 133.10 ± 2.20 | kJ/mol | NIST |
| ΔvapH° | 60.97 | kJ/mol | Joback Calculated Property |
| log10WS | -0.80 | Crippen Calculated Property | |
| logPoct/wat | -0.368 | Crippen Calculated Property | |
| McVol | 132.590 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| Tboil | 589.12 | K | Joback Calculated Property |
| Tc | 796.38 | K | Joback Calculated Property |
| Tfus | 509.00 ± 0.40 | K | NIST |
| Vc | 0.491 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.68; 393.14] | J/mol×K | [589.12; 796.38] | 
|
| Cp,gas | 332.68 | J/mol×K | 589.12 | Joback Calculated Property |
| Cp,gas | 344.36 | J/mol×K | 623.66 | Joback Calculated Property |
| Cp,gas | 355.37 | J/mol×K | 658.21 | Joback Calculated Property |
| Cp,gas | 365.74 | J/mol×K | 692.75 | Joback Calculated Property |
| Cp,gas | 375.48 | J/mol×K | 727.30 | Joback Calculated Property |
| Cp,gas | 384.60 | J/mol×K | 761.84 | Joback Calculated Property |
| Cp,gas | 393.14 | J/mol×K | 796.38 | Joback Calculated Property |
| ΔfusH | 39.10 | kJ/mol | 509.00 | NIST |
| ΔsubH | [126.00; 129.80] | kJ/mol | [376.00; 408.00] |
|
| ΔsubH | 129.80 ± 1.90 | kJ/mol | 376.00 | NIST |
| ΔsubH | 126.00 ± 2.00 | kJ/mol | 408.00 | NIST |
Similar Compounds
Find more compounds similar to N-Acetyl L-valinamide.
Sources
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