- InChI
- InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)
- InChI Key
- KNCYXPMJDCCGSJ-UHFFFAOYSA-N
- Formula
- C5H7NO2
- SMILES
- O=C1CCCC(=O)N1
- Molecular Weight1
- 113.11
- CAS
- 1121-89-7
- Other Names
-
- 2,6-Piperidinedione
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -2480.30 ± 0.50 | kJ/mol | NIST |
| ΔfG° | -134.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.60 ± 1.80 | kJ/mol | NIST |
| ΔfH°solid | -487.70 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 8.08 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [94.10; 94.10] | kJ/mol |
|
| ΔsubH° | 94.10 ± 1.60 | kJ/mol | NIST |
| ΔsubH° | 94.10 ± 1.60 | kJ/mol | NIST |
| ΔvapH° | 42.71 | kJ/mol | Joback Calculated Property |
| IE | 9.87 | eV | NIST |
| log10WS | -0.55 | Crippen Calculated Property | |
| logPoct/wat | -0.187 | Crippen Calculated Property | |
| McVol | 83.570 | ml/mol | McGowan Calculated Property |
| Pc | 5367.04 | kPa | Joback Calculated Property |
| Inp | [1153.90; 1153.90] |
|
|
| Inp | 1153.90 | NIST | |
| Inp | 1153.90 | NIST | |
| Tboil | 522.21 | K | Joback Calculated Property |
| Tc | 779.01 | K | Joback Calculated Property |
| Tfus | 399.20 | K | Joback Calculated Property |
| Vc | 0.300 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.56; 250.51] | J/mol×K | [522.21; 779.01] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 180 190 200 210 220 230 240 250 600 700 | ||||
| Cp,gas | 181.56 | J/mol×K | 522.21 | Joback Calculated Property |
| Cp,gas | 194.50 | J/mol×K | 565.01 | Joback Calculated Property |
| Cp,gas | 206.97 | J/mol×K | 607.81 | Joback Calculated Property |
| Cp,gas | 218.89 | J/mol×K | 650.61 | Joback Calculated Property |
| Cp,gas | 230.17 | J/mol×K | 693.41 | Joback Calculated Property |
| Cp,gas | 240.74 | J/mol×K | 736.21 | Joback Calculated Property |
| Cp,gas | 250.51 | J/mol×K | 779.01 | Joback Calculated Property |
| ΔsubH | 93.60 ± 1.60 | kJ/mol | 328.50 | NIST |
Similar Compounds
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Sources
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