- InChI
- InChI=1S/C14H18N2O2/c1-9(2)12-14(18)15-11(13(17)16-12)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,15,18)(H,16,17)
- InChI Key
- OQQPOHUVAQPSHJ-UHFFFAOYSA-N
- Formula
- C14H18N2O2
- SMILES
- CC(C)C1NC(=O)C(Cc2ccccc2)NC1=O
- Molecular Weight1
- 246.30
- CAS
- 14474-71-6
- Other Names
-
- 3-Benzyl-6-isopropyl-2,5-piperazinedione
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -7689.00 ± 4.00 | kJ/mol | NIST |
| ΔfG° | 123.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 0.868 | Crippen Calculated Property | |
| McVol | 196.600 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Tboil | 793.58 | K | Joback Calculated Property |
| Tc | 1056.68 | K | Joback Calculated Property |
| Tfus | 608.60 | K | Joback Calculated Property |
| Vc | 0.726 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [605.92; 686.97] | J/mol×K | [793.58; 1056.68] | 
|
| Cp,gas | 605.92 | J/mol×K | 793.58 | Joback Calculated Property |
| Cp,gas | 624.60 | J/mol×K | 837.43 | Joback Calculated Property |
| Cp,gas | 641.30 | J/mol×K | 881.28 | Joback Calculated Property |
| Cp,gas | 655.95 | J/mol×K | 925.13 | Joback Calculated Property |
| Cp,gas | 668.49 | J/mol×K | 968.98 | Joback Calculated Property |
| Cp,gas | 678.85 | J/mol×K | 1012.83 | Joback Calculated Property |
| Cp,gas | 686.97 | J/mol×K | 1056.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Piperazinedione, 3-benzyl-6-isopropyl-.
Sources
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