- InChI
- InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
- InChI Key
- DQMZLTXERSFNPB-UHFFFAOYSA-N
- Formula
- C12H14N2O2
- SMILES
- CCC1(c2ccccc2)C(=O)NCNC1=O
- Molecular Weight1
- 218.25
- CAS
- 125-33-7
- Other Names
-
- 2-Deoxyphenobarbital
- 2-Desoxyphenobarbital
- 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-phenyl-
- 5-Aethyl-5-phenyl-hexahydropyrimidin-4,6-dion
- 5-Ethyl-5-phenylhexahydropyrimidine-4,6-dione
- 5-Ethyldihydro-5-phenyl-4,6(1H,5H)-pyrimidinedione
- 5-Ethylhexahydro-4,6-dioxo-5-phenylpyrimidine
- 5-Ethylhexahydro-5-phenylpyrimidine-4,6-dione
- 5-Phenyl-5-aethylhexahydropyrimidindion-(4,6)
- 5-Phenyl-5-ethyl-hexahydropyrimidine-4,6-dione
- Cyral
- Desoxyphenobarbitone
- Hexadiona
- Hexamidine
- Lepimidin
- Lepsiral
- Liskantin
- Majsolin
- Medi-Pets
- Midone
- Milepsin
- Misodine
- Misolyne
- Mizodin
- Mizolin
- Mylepsin
- Mylepsinum
- Mysedon
- Mysoline
- NCI-C56360
- NSC 41701
- Neurosyn
- Prilepsin
- Primacione
- Primaclone
- Primacone
- Primakton
- Primidon
- Primoline
- Prysoline
- Pyrimidone "Medi-pets"
- Pyrimidone Medi-pets
- Resimatil
- Roe 101
- Sertan
- 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° | 111.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -184.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.87 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.64; -2.48] |
|
|
| log10WS | -2.48 | Aq. Sol... | |
| log10WS | -2.64 | Estimat... | |
| logPoct/wat | 0.538 | Crippen Calculated Property | |
| McVol | 168.420 | ml/mol | McGowan Calculated Property |
| Pc | 3589.94 | kPa | Joback Calculated Property |
| Inp | [2200.00; 2324.50] |
|
|
| Inp | 2254.00 | NIST | |
| Inp | 2242.00 | NIST | |
| Inp | 2239.00 | NIST | |
| Inp | 2243.00 | NIST | |
| Inp | 2202.00 | NIST | |
| Inp | Outlier 2324.50 | NIST | |
| Inp | 2250.00 | NIST | |
| Inp | 2225.00 | NIST | |
| Inp | 2200.00 | NIST | |
| Inp | 2247.00 | NIST | |
| Inp | 2254.00 | NIST | |
| Inp | 2247.00 | NIST | |
| Tboil | 753.17 | K | Joback Calculated Property |
| Tc | 1033.89 | K | Joback Calculated Property |
| Tfus | 554.53 | K | Aq. Sol... |
| Vc | 0.619 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.22; 583.18] | J/mol×K | [753.17; 1033.89] |
|
| Cp,gas | 486.22 | J/mol×K | 753.17 | Joback Calculated Property |
| Cp,gas | 504.76 | J/mol×K | 799.96 | Joback Calculated Property |
| Cp,gas | 522.21 | J/mol×K | 846.74 | Joback Calculated Property |
| Cp,gas | 538.66 | J/mol×K | 893.53 | Joback Calculated Property |
| Cp,gas | 554.24 | J/mol×K | 940.32 | Joback Calculated Property |
| Cp,gas | 569.04 | J/mol×K | 987.11 | Joback Calculated Property |
| Cp,gas | 583.18 | J/mol×K | 1033.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Primidone.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.