- InChI
- InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)
- InChI Key
- CIFFBTOJCKSRJY-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- O=C1N=C(O)C2CC=CCC12
- Molecular Weight1
- 151.16
- CAS
- 85-40-5
- Other Names
-
- 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-
- «delta»4-Tetrahydrophthalimide
- Isoindole-1,3-dione, 3a,4,7,7a-tetrahydro-
- Tetrahydrophthalic acid imide
- Tetrahydrophthalimide
- 4-Cyclohexene-1,2-dicarboximide
- NSC 59011
- 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° | 9.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.13 | kJ/mol | Joback Calculated Property |
| log10WS | -1.09 | Crippen Calculated Property | |
| logPoct/wat | 1.066 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 4652.99 | kPa | Joback Calculated Property |
| Tboil | 625.73 | K | Joback Calculated Property |
| Tc | 858.40 | K | Joback Calculated Property |
| Tfus | 419.86 | K | Joback Calculated Property |
| Vc | 0.420 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.91; 378.11] | J/mol×K | [625.73; 858.40] | 
|
| Cp,gas | 309.91 | J/mol×K | 625.73 | Joback Calculated Property |
| Cp,gas | 323.57 | J/mol×K | 664.51 | Joback Calculated Property |
| Cp,gas | 336.31 | J/mol×K | 703.29 | Joback Calculated Property |
| Cp,gas | 348.13 | J/mol×K | 742.06 | Joback Calculated Property |
| Cp,gas | 359.03 | J/mol×K | 780.84 | Joback Calculated Property |
| Cp,gas | 369.02 | J/mol×K | 819.62 | Joback Calculated Property |
| Cp,gas | 378.11 | J/mol×K | 858.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,6-Tetrahydrophthalimide.
Sources
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