- InChI
- InChI=1S/C5H7N5O4S/c6-3(15)9-10-5(14)1(11)7-4(13)8-2(5)12/h10,14H,(H3,6,9,15)(H2,7,8,11,12,13)
- InChI Key
- GOHDTOFXBVDEDM-UHFFFAOYSA-N
- Formula
- C5H7N5O4S
- SMILES
- NC(=S)NNC1(O)C(=O)NC(=O)NC1=O
- Molecular Weight1
- 233.21
- 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).
- 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 | 0.8690 | Relay (1.0) Calculated Property | |
| ΔfG° | 43.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | -3.621 | Crippen Calculated Property | |
| McVol | 142.980 | ml/mol | McGowan Calculated Property |
| Pc | 9499.60 | kPa | Joback Calculated Property |
| Tboil | 582.68 | K | Relay (1.0) Calculated Property |
| Tc | 1045.17 | K | Relay (1.0) Calculated Property |
| Tfus | 487.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.58; 504.61] | J/mol×K | [969.24; 1239.16] | 
|
| Cp,gas | 445.58 | J/mol×K | 969.24 | Joback Calculated Property |
| Cp,gas | 456.14 | J/mol×K | 1014.23 | Joback Calculated Property |
| Cp,gas | 466.33 | J/mol×K | 1059.21 | Joback Calculated Property |
| Cp,gas | 476.22 | J/mol×K | 1104.20 | Joback Calculated Property |
| Cp,gas | 485.86 | J/mol×K | 1149.19 | Joback Calculated Property |
| Cp,gas | 495.31 | J/mol×K | 1194.18 | Joback Calculated Property |
| Cp,gas | 504.61 | J/mol×K | 1239.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Barbituric acid, 5-hydroxy-5-thiosemicarbazido-.
Sources
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