- InChI
- InChI=1S/C15H21NO2/c1-2-3-4-13-5-7-14(8-6-13)15(17)16-9-11-18-12-10-16/h5-8H,2-4,9-12H2,1H3
- InChI Key
- MSGZJSXSKGWKSZ-UHFFFAOYSA-N
- Formula
- C15H21NO2
- SMILES
- CCCCc1ccc(C(=O)N2CCOCC2)cc1
- Molecular Weight1
- 247.33
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.6753 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -304.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.502 | Crippen Calculated Property | |
| McVol | 205.010 | ml/mol | McGowan Calculated Property |
| Pc | 1733.29 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2083.00; 2083.00] |
|
|
| Inp | 2083.00 | NIST | |
| Inp | 2083.00 | NIST | |
| Tboil | 643.81 | K | Relay (1.0) Calculated Property |
| Tc | 848.47 | K | Relay (1.0) Calculated Property |
| Tfus | 297.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.751 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, morpholide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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