- InChI
- InChI=1S/C18H32N2O4/c1-11(2)13(21)17(5,6)15(23)19-9-10-20-16(24)18(7,8)14(22)12(3)4/h11-12H,9-10H2,1-8H3,(H,19,23)(H,20,24)
- InChI Key
- OAFTUJVCHZBHJF-UHFFFAOYSA-N
- Formula
- C18H32N2O4
- SMILES
-
CC(C)C(=O)C(C)(C)C(=O)NCCNC(=O
)C(C)(C)C(=O)C(C)C - Molecular Weight1
- 340.46
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -934.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.721 | Crippen Calculated Property | |
| McVol | 290.720 | ml/mol | McGowan Calculated Property |
| Tboil | 576.72 | K | Relay (1.0) Calculated Property |
| Tfus | 398.35 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.85; 981.83] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.87680e+01 | |||
| Coefficient B | 2.01776e+00 | |||
| Coefficient C | -1.32780e-03 | |||
| Coefficient D | 3.30640e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 419.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 523.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 614.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 693.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 762.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 821.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 871.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 914.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 950.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 981.83 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Valeramide, n,n'-ethylene-bis(2,2,4-trimethyl-3-oxo)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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