- InChI
- InChI=1S/C11H13IO2/c1-2-3-7-14-11(13)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3
- InChI Key
- WVGMCYXQJIQRAR-UHFFFAOYSA-N
- Formula
- C11H13IO2
- SMILES
- CCCCOC(=O)c1cccc(I)c1
- Molecular Weight1
- 304.12
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.5836 | Relay (... Calculated Property | |
| ΔfG° | -31.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.80 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 | eV | Relay (... Calculated Property |
| log10WS | -4.91 | Relay (... Calculated Property | |
| logPoct/wat | 3.248 | Crippen Calculated Property | |
| McVol | 175.350 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Inp | [1818.00; 1818.00] |
|
|
| Inp | 1818.00 | NIST | |
| Inp | 1818.00 | NIST | |
| Tboil | 588.71 | K | Relay (... Calculated Property |
| Tc | 795.91 | K | Relay (... Calculated Property |
| Tfus | 276.43 | K | Relay (... Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.66; 460.91] | J/mol×K | [652.17; 889.17] |
|
| Cp,gas | 395.66 | J/mol×K | 652.17 | Joback Calculated Property |
| Cp,gas | 408.68 | J/mol×K | 691.67 | Joback Calculated Property |
| Cp,gas | 420.80 | J/mol×K | 731.17 | Joback Calculated Property |
| Cp,gas | 432.04 | J/mol×K | 770.67 | Joback Calculated Property |
| Cp,gas | 442.45 | J/mol×K | 810.17 | Joback Calculated Property |
| Cp,gas | 452.06 | J/mol×K | 849.67 | Joback Calculated Property |
| Cp,gas | 460.91 | J/mol×K | 889.17 | Joback Calculated Property |
| η | [0.0001845; 0.0016864] | Pa×s | [382.89; 652.17] |
|
| η | 0.0016864 | Pa×s | 382.89 | Joback Calculated Property |
| η | 0.0009611 | Pa×s | 427.77 | Joback Calculated Property |
| η | 0.0006095 | Pa×s | 472.65 | Joback Calculated Property |
| η | 0.0004182 | Pa×s | 517.53 | Joback Calculated Property |
| η | 0.0003048 | Pa×s | 562.41 | Joback Calculated Property |
| η | 0.0002328 | Pa×s | 607.29 | Joback Calculated Property |
| η | 0.0001845 | Pa×s | 652.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyl 3-iodobenzoate.
Sources
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