- InChI
- InChI=1S/C13H19ClO3/c14-9-5-3-1-2-4-6-10-17-13(15)12-8-7-11-16-12/h7-8,11H,1-6,9-10H2
- InChI Key
- GRSYGFYMCIAFNY-UHFFFAOYSA-N
- Formula
- C13H19ClO3
- SMILES
- O=C(OCCCCCCCCCl)c1ccco1
- Molecular Weight1
- 258.74
- 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 | 0.7958 | Relay (1.0) Calculated Property | |
| ΔfG° | -233.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -566.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.016 | Crippen Calculated Property | |
| McVol | 200.120 | ml/mol | McGowan Calculated Property |
| Pc | 2094.94 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2004.00; 2004.00] |
|
|
| Inp | 2004.00 | NIST | |
| Inp | 2004.00 | NIST | |
| Tboil | 590.66 | K | Relay (1.0) Calculated Property |
| Tc | 787.43 | K | Relay (1.0) Calculated Property |
| Tfus | 285.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.762 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furoic acid, 8-chlorooctyl 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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