- InChI
- InChI=1S/C12H19NO2/c1-5-7-10-8(3)11(13-9(10)4)12(14)15-6-2/h13H,5-7H2,1-4H3
- InChI Key
- FURNFZQCOQEXNH-UHFFFAOYSA-N
- Formula
- C12H19NO2
- SMILES
- CCCc1c(C)[nH]c(C(=O)OCC)c1C
- Molecular Weight1
- 209.28
- CAS
- 4758-64-9
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 | 0.6687 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6868.50 ± 2.10 | kJ/mol | NIST |
| ΔfG° | -124.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -446.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.279 | Crippen Calculated Property | |
| McVol | 177.900 | ml/mol | McGowan Calculated Property |
| Pc | 2015.90 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 558.63 | K | Relay (1.0) Calculated Property |
| Tc | 773.38 | K | Relay (1.0) Calculated Property |
| Tfus | 345.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl 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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