- InChI
- InChI=1S/C13H19NO4/c1-3-4-5-8-18-12(15)10-14(2)13(16)11-7-6-9-17-11/h6-7,9H,3-5,8,10H2,1-2H3
- InChI Key
- BCUJPDREMGIGEI-UHFFFAOYSA-N
- Formula
- C13H19NO4
- SMILES
- CCCCCOC(=O)CN(C)C(=O)c1ccco1
- Molecular Weight1
- 253.29
- 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 | 0.7554 | Relay (1.0) Calculated Property | |
| ΔfG° | -227.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -621.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 80.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.085 | Crippen Calculated Property | |
| McVol | 199.430 | ml/mol | McGowan Calculated Property |
| Pc | 1974.05 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1920.00; 1920.00] |
|
|
| Inp | 1920.00 | NIST | |
| Inp | 1920.00 | NIST | |
| Tboil | 596.31 | K | Relay (1.0) Calculated Property |
| Tc | 779.01 | K | Relay (1.0) Calculated Property |
| Tfus | 291.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.765 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-furoyl)-, pentyl ester.
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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