- InChI
- InChI=1S/C10H14N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h4H,5H2,1-3H3,(H2,11,12,13,14,15)/b6-4+
- InChI Key
- BNEFYUSURPWDHG-GQCTYLIASA-N
- Formula
- C10H14N2O3
- SMILES
- CC=C(C)C1(CC)C(=O)NC(=O)NC1=O
- Molecular Weight1
- 210.23
- 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° | -68.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -410.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.43 | kJ/mol | Joback Calculated Property |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 0.715 | Crippen Calculated Property | |
| McVol | 161.270 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Inp | [1905.00; 1905.00] |
|
|
| Inp | 1905.00 | NIST | |
| Inp | 1905.00 | NIST | |
| Tboil | 752.59 | K | Joback Calculated Property |
| Tc | 1020.22 | K | Joback Calculated Property |
| Tfus | 629.42 | K | Joback Calculated Property |
| Vc | 0.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.52; 562.65] | J/mol×K | [752.59; 1020.22] |
|
| Cp,gas | 469.52 | J/mol×K | 752.59 | Joback Calculated Property |
| Cp,gas | 487.16 | J/mol×K | 797.19 | Joback Calculated Property |
| Cp,gas | 503.91 | J/mol×K | 841.80 | Joback Calculated Property |
| Cp,gas | 519.80 | J/mol×K | 886.40 | Joback Calculated Property |
| Cp,gas | 534.87 | J/mol×K | 931.01 | Joback Calculated Property |
| Cp,gas | 549.14 | J/mol×K | 975.61 | Joback Calculated Property |
| Cp,gas | 562.65 | J/mol×K | 1020.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butabarbital M (OH, -H2O).
Sources
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