- InChI
- InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)
- InChI Key
- JFZHPFOXAAIUMB-UHFFFAOYSA-N
- Formula
- C11H14N2O2
- SMILES
- CCC(C(N)=O)(C(N)=O)c1ccccc1
- Molecular Weight1
- 206.24
- CAS
- 7206-76-0
- Other Names
-
- Malonamide, 2-ethyl-2-phenyl-
- Ethylphenylmalondiamide
- Phenylethylmalonamide
- Phenylethylmalondiamide
- 2-Ethyl-2-phenylmalondiamide
- 2-Ethyl-2-phenylmalonamide
- 2-Ethyl-2-phenylmalonic diamide
- PEMA
- PEMA (amide)
- 80866-90-6 (hydrate)
- Primidone, M(diamide)
- 2-ethyl-2-phenylmalonamide monohydrate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6675 | Relay (1.0) Calculated Property | |
| ΔfG° | 32.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.305 | Crippen Calculated Property | |
| McVol | 165.190 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| Inp | [1916.00; 1935.00] |
|
|
| Inp | 1916.00 | NIST | |
| Inp | 1935.00 | NIST | |
| Inp | 1916.00 | NIST | |
| Tboil | 551.71 | K | Relay (1.0) Calculated Property |
| Tc | 835.89 | K | Relay (1.0) Calculated Property |
| Tfus | 433.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.02; 514.93] | J/mol×K | [727.33; 972.77] |
|
| Cp,gas | 456.02 | J/mol×K | 727.33 | Joback Calculated Property |
| Cp,gas | 468.20 | J/mol×K | 768.24 | Joback Calculated Property |
| Cp,gas | 479.30 | J/mol×K | 809.14 | Joback Calculated Property |
| Cp,gas | 489.44 | J/mol×K | 850.05 | Joback Calculated Property |
| Cp,gas | 498.70 | J/mol×K | 890.96 | Joback Calculated Property |
| Cp,gas | 507.16 | J/mol×K | 931.86 | Joback Calculated Property |
| Cp,gas | 514.93 | J/mol×K | 972.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanediamide, 2-ethyl-2-phenyl-.
Sources
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