- InChI
- InChI=1S/C11H18N2O4/c1-4-11(6(2)5-7(3)14)8(15)12-10(17)13-9(11)16/h6-7,14H,4-5H2,1-3H3,(H2,12,13,15,16,17)
- InChI Key
- XYOPMDJVSWQZTM-UHFFFAOYSA-N
- Formula
- C11H18N2O4
- SMILES
-
CCC1(C(C)CC(C)O)C(=O)NC(=O)NC1
=O - Molecular Weight1
- 242.27
- CAS
- 4241-40-1
- Other Names
-
- Barbituric acid, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-
- Hydroxypentobarbital
- Hydroxypentobarbitone
- 3'-Hydroxypentobarbitone
- 3'-Hydroxypentobarbital
- 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° | -273.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.52 | kJ/mol | Joback Calculated Property |
| log10WS | -1.90 | Crippen Calculated Property | |
| logPoct/wat | 0.156 | Crippen Calculated Property | |
| McVol | 185.530 | ml/mol | McGowan Calculated Property |
| Pc | 3224.64 | kPa | Joback Calculated Property |
| Inp | [1915.00; 1915.00] |
|
|
| Inp | 1915.00 | NIST | |
| Inp | 1915.00 | NIST | |
| Tboil | 862.73 | K | Joback Calculated Property |
| Tc | 1099.90 | K | Joback Calculated Property |
| Tfus | 690.55 | K | Joback Calculated Property |
| Vc | 0.684 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [608.57; 688.76] | J/mol×K | [862.73; 1099.90] |
|
| Cp,gas | 608.57 | J/mol×K | 862.73 | Joback Calculated Property |
| Cp,gas | 624.14 | J/mol×K | 902.26 | Joback Calculated Property |
| Cp,gas | 638.81 | J/mol×K | 941.79 | Joback Calculated Property |
| Cp,gas | 652.60 | J/mol×K | 981.32 | Joback Calculated Property |
| Cp,gas | 665.51 | J/mol×K | 1020.84 | Joback Calculated Property |
| Cp,gas | 677.56 | J/mol×K | 1060.37 | Joback Calculated Property |
| Cp,gas | 688.76 | J/mol×K | 1099.90 | Joback Calculated Property |
Similar Compounds
Sources
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