- InChI
- InChI=1S/C8H17NO2/c1-5(2)7(9)8(10)11-6(3)4/h5-7H,9H2,1-4H3
- InChI Key
- GJJLNXZGOBJOFF-UHFFFAOYSA-N
- Formula
- C8H17NO2
- SMILES
- CC(C)OC(=O)C(N)C(C)C
- Molecular Weight1
- 159.23
- 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 |
|---|---|---|---|
| ΔfG° | -158.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.03 | kJ/mol | Joback Calculated Property |
| log10WS | -1.45 | Crippen Calculated Property | |
| logPoct/wat | 0.921 | Crippen Calculated Property | |
| McVol | 141.000 | ml/mol | McGowan Calculated Property |
| Pc | 2893.62 | kPa | Joback Calculated Property |
| Inp | [1112.00; 1126.00] |
|
|
| Inp | 1126.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1113.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Tboil | 529.94 | K | Joback Calculated Property |
| Tc | 727.82 | K | Joback Calculated Property |
| Tfus | 290.34 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.00; 411.58] | J/mol×K | [529.94; 727.82] |
|
| Cp,gas | 339.00 | J/mol×K | 529.94 | Joback Calculated Property |
| Cp,gas | 352.62 | J/mol×K | 562.92 | Joback Calculated Property |
| Cp,gas | 365.63 | J/mol×K | 595.90 | Joback Calculated Property |
| Cp,gas | 378.02 | J/mol×K | 628.88 | Joback Calculated Property |
| Cp,gas | 389.80 | J/mol×K | 661.86 | Joback Calculated Property |
| Cp,gas | 400.99 | J/mol×K | 694.84 | Joback Calculated Property |
| Cp,gas | 411.58 | J/mol×K | 727.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Val, isopropyl ester.
Sources
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