- InChI
- InChI=1S/C17H25NO3/c1-3-5-14-18(15-10-7-6-8-11-15)16(19)12-9-13-17(20)21-4-2/h6-8,10-11H,3-5,9,12-14H2,1-2H3
- InChI Key
- WLMLYKXEKLHMRA-UHFFFAOYSA-N
- Formula
- C17H25NO3
- SMILES
-
CCCCN(C(=O)CCCC(=O)OCC)c1ccccc
1 - Molecular Weight1
- 291.39
- 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 | 0.8256 | Relay (1.0) Calculated Property | |
| ΔfG° | -47.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.553 | Crippen Calculated Property | |
| McVol | 245.620 | ml/mol | McGowan Calculated Property |
| Pc | 1718.88 | kPa | Joback Calculated Property |
| Inp | [2149.00; 2149.00] |
|
|
| Inp | 2149.00 | NIST | |
| Inp | 2149.00 | NIST | |
| Tboil | 626.04 | K | Relay (1.0) Calculated Property |
| Tc | 827.44 | K | Relay (1.0) Calculated Property |
| Tfus | 312.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.903 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [717.56; 798.87] | J/mol×K | [757.64; 956.43] |
|
| Cp,gas | 717.56 | J/mol×K | 757.64 | Joback Calculated Property |
| Cp,gas | 733.54 | J/mol×K | 790.77 | Joback Calculated Property |
| Cp,gas | 748.50 | J/mol×K | 823.90 | Joback Calculated Property |
| Cp,gas | 762.47 | J/mol×K | 857.03 | Joback Calculated Property |
| Cp,gas | 775.49 | J/mol×K | 890.16 | Joback Calculated Property |
| Cp,gas | 787.61 | J/mol×K | 923.30 | Joback Calculated Property |
| Cp,gas | 798.87 | J/mol×K | 956.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-butyl-N-phenyl-, ethyl ester.
Sources
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