- InChI
- InChI=1S/C12H17NO4/c1-9(2)8-17-11(14)7-13(3)12(15)10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3
- InChI Key
- OMDXFERPDICUIV-UHFFFAOYSA-N
- Formula
- C12H17NO4
- SMILES
- CC(C)COC(=O)CN(C)C(=O)c1ccco1
- Molecular Weight1
- 239.27
- 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 | 0.6811 | Relay (1.0) Calculated Property | |
| ΔfG° | -244.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -614.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.551 | Crippen Calculated Property | |
| McVol | 185.340 | ml/mol | McGowan Calculated Property |
| Pc | 2018.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1780.00 | NIST | |
| Tboil | 587.32 | K | Relay (1.0) Calculated Property |
| Tc | 764.02 | K | Relay (1.0) Calculated Property |
| Tfus | 302.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-furoyl)-, isobutyl 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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