- InChI
- InChI=1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8)
- InChI Key
- JBTGHKUTYAMZEZ-UHFFFAOYSA-N
- Formula
- C4H4N2O2
- SMILES
- NC(=O)C#CC(N)=O
- Molecular Weight1
- 112.09
- CAS
- 543-21-5
- Other Names
-
- Acetylenedicarboxylic acid diamide
- Aquamycin
- Cellocidin
- Lenamycin
- 2-Butynediamide
- Acetylendicarbonsaeureamid
- Renamycin
- 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).
- 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° | 60.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -11.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.42 | kJ/mol | Joback Calculated Property |
| log10WS | 0.29 | Crippen Calculated Property | |
| logPoct/wat | -2.040 | Crippen Calculated Property | |
| McVol | 81.720 | ml/mol | McGowan Calculated Property |
| Pc | 6921.35 | kPa | Joback Calculated Property |
| Tboil | 552.72 | K | Joback Calculated Property |
| Tc | 799.24 | K | Joback Calculated Property |
| Tfus | 507.32 | K | Joback Calculated Property |
| Vc | 0.291 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.43; 199.08] | J/mol×K | [552.72; 799.24] | 
|
| Cp,gas | 168.43 | J/mol×K | 552.72 | Joback Calculated Property |
| Cp,gas | 174.50 | J/mol×K | 593.81 | Joback Calculated Property |
| Cp,gas | 180.17 | J/mol×K | 634.89 | Joback Calculated Property |
| Cp,gas | 185.46 | J/mol×K | 675.98 | Joback Calculated Property |
| Cp,gas | 190.36 | J/mol×K | 717.06 | Joback Calculated Property |
| Cp,gas | 194.90 | J/mol×K | 758.15 | Joback Calculated Property |
| Cp,gas | 199.08 | J/mol×K | 799.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetylene dicarboxamide.
Sources
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