- InChI
- InChI=1S/C13H15NO4/c1-3-10(14-8(2)15)13(16)9-4-5-11-12(6-9)18-7-17-11/h4-6,10H,3,7H2,1-2H3,(H,14,15)
- InChI Key
- QRLOIKIAVMPXIP-UHFFFAOYSA-N
- Formula
- C13H15NO4
- SMILES
-
CCC(NC(C)=O)C(=O)c1ccc2c(c1)OC
O2 - Molecular Weight1
- 249.26
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -122.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -445.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 1.513 | Crippen Calculated Property | |
| McVol | 184.270 | ml/mol | McGowan Calculated Property |
| Pc | 2850.52 | kPa | Joback Calculated Property |
| Inp | [2200.00; 2200.00] |
|
|
| Inp | 2200.00 | NIST | |
| Inp | 2200.00 | NIST | |
| Tboil | 756.26 | K | Joback Calculated Property |
| Tc | 982.18 | K | Joback Calculated Property |
| Tfus | 500.57 | K | Joback Calculated Property |
| Vc | 0.697 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.34; 589.07] | J/mol×K | [756.26; 982.18] |
|
| Cp,gas | 526.34 | J/mol×K | 756.26 | Joback Calculated Property |
| Cp,gas | 538.80 | J/mol×K | 793.91 | Joback Calculated Property |
| Cp,gas | 550.36 | J/mol×K | 831.57 | Joback Calculated Property |
| Cp,gas | 561.10 | J/mol×K | 869.22 | Joback Calculated Property |
| Cp,gas | 571.08 | J/mol×K | 906.88 | Joback Calculated Property |
| Cp,gas | 580.38 | J/mol×K | 944.53 | Joback Calculated Property |
| Cp,gas | 589.07 | J/mol×K | 982.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Norbutylone, Ac.
Sources
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