- InChI
- InChI=1S/C18H19NO4/c1-4-19(17(20)13-7-5-9-15(11-13)22-2)18(21)14-8-6-10-16(12-14)23-3/h5-12H,4H2,1-3H3
- InChI Key
- COFLLHPMYFFSBQ-UHFFFAOYSA-N
- Formula
- C18H19NO4
- SMILES
-
CCN(C(=O)c1cccc(OC)c1)C(=O)c1c
ccc(OC)c1 - Molecular Weight1
- 313.35
- 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° | -50.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 3.006 | Crippen Calculated Property | |
| McVol | 241.820 | ml/mol | McGowan Calculated Property |
| Pc | 2021.76 | kPa | Joback Calculated Property |
| Inp | [2393.00; 2393.00] |
|
|
| Inp | 2393.00 | NIST | |
| Inp | 2393.00 | NIST | |
| Tboil | 839.58 | K | Joback Calculated Property |
| Tc | 1066.51 | K | Joback Calculated Property |
| Tfus | 547.29 | K | Joback Calculated Property |
| Vc | 0.893 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [707.72; 772.58] | J/mol×K | [839.58; 1066.51] |
|
| Cp,gas | 707.72 | J/mol×K | 839.58 | Joback Calculated Property |
| Cp,gas | 721.53 | J/mol×K | 877.40 | Joback Calculated Property |
| Cp,gas | 734.10 | J/mol×K | 915.22 | Joback Calculated Property |
| Cp,gas | 745.44 | J/mol×K | 953.04 | Joback Calculated Property |
| Cp,gas | 755.62 | J/mol×K | 990.87 | Joback Calculated Property |
| Cp,gas | 764.65 | J/mol×K | 1028.69 | Joback Calculated Property |
| Cp,gas | 772.58 | J/mol×K | 1066.51 | Joback Calculated Property |
Similar Compounds
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Sources
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