- InChI
- InChI=1S/C19H29NO5/c1-5-6-7-12-24-18(21)16-9-8-10-17(20-16)19(22)25-15(3)14(2)11-13-23-4/h8-10,14-15H,5-7,11-13H2,1-4H3
- InChI Key
- POPSMDXBEJJYMA-UHFFFAOYSA-N
- Formula
- C19H29NO5
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OC(C)C(
C)CCOC)n1 - Molecular Weight1
- 351.44
- 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 | 0.9510 | Relay (1.0) Calculated Property | |
| ΔfG° | -337.87 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -920.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 90.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.647 | Crippen Calculated Property | |
| McVol | 285.540 | ml/mol | McGowan Calculated Property |
| Pc | 1393.16 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2423.00; 2423.00] |
|
|
| Inp | 2423.00 | NIST | |
| Inp | 2423.00 | NIST | |
| Tboil | 650.00 | K | Relay (1.0) Calculated Property |
| Tc | 843.71 | K | Relay (1.0) Calculated Property |
| Tfus | 280.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.041 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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