- InChI
- InChI=1S/C19H27NO5/c1-19(2,3)13-25-18(22)9-8-17(21)20-11-10-14-6-7-15(23-4)16(12-14)24-5/h6-9,12H,10-11,13H2,1-5H3,(H,20,21)/b9-8+
- InChI Key
- FRRJGWIHBFHMAM-CMDGGOBGSA-N
- Formula
- C19H27NO5
- SMILES
-
COc1ccc(CCNC(=O)C=CC(=O)OCC(C)
(C)C)cc1OC - Molecular Weight1
- 349.42
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9343 | Relay (1.0) Calculated Property | |
| ΔfG° | -198.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -812.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.508 | Crippen Calculated Property | |
| McVol | 281.240 | ml/mol | McGowan Calculated Property |
| Pc | 1499.99 | kPa | Joback Calculated Property |
| Inp | [2847.00; 2847.00] |
|
|
| Inp | 2847.00 | NIST | |
| Inp | 2847.00 | NIST | |
| Tboil | 659.03 | K | Relay (1.0) Calculated Property |
| Tc | 874.51 | K | Relay (1.0) Calculated Property |
| Tfus | 409.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.004 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [878.59; 946.78] | J/mol×K | [896.86; 1111.45] |
|
| Cp,gas | 878.59 | J/mol×K | 896.86 | Joback Calculated Property |
| Cp,gas | 892.74 | J/mol×K | 932.63 | Joback Calculated Property |
| Cp,gas | 905.73 | J/mol×K | 968.39 | Joback Calculated Property |
| Cp,gas | 917.58 | J/mol×K | 1004.16 | Joback Calculated Property |
| Cp,gas | 928.36 | J/mol×K | 1039.92 | Joback Calculated Property |
| Cp,gas | 938.08 | J/mol×K | 1075.69 | Joback Calculated Property |
| Cp,gas | 946.78 | J/mol×K | 1111.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, neopentyl ester.
Sources
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