- InChI
- InChI=1S/C11H8O4/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h1,3-6H,7H2,(H,12,13)
- InChI Key
- BEWCAUPONZLPFD-UHFFFAOYSA-N
- Formula
- C11H8O4
- SMILES
- C#CCOC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 204.18
- CAS
- 6139-61-3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.7499 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -387.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.175 | Crippen Calculated Property | |
| McVol | 148.370 | ml/mol | McGowan Calculated Property |
| Pc | 3862.67 | kPa | Joback Calculated Property |
| Inp | [1731.00; 1731.00] |
|
|
| Inp | 1731.00 | NIST | |
| Inp | 1731.00 | NIST | |
| Tboil | 597.08 | K | Relay (1.0) Calculated Property |
| Tc | 832.87 | K | Relay (1.0) Calculated Property |
| Tfus | 383.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.507 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [364.99; 410.03] | J/mol×K | [695.20; 910.39] |
|
| Cp,gas | 364.99 | J/mol×K | 695.20 | Joback Calculated Property |
| Cp,gas | 374.04 | J/mol×K | 731.06 | Joback Calculated Property |
| Cp,gas | 382.44 | J/mol×K | 766.93 | Joback Calculated Property |
| Cp,gas | 390.23 | J/mol×K | 802.79 | Joback Calculated Property |
| Cp,gas | 397.40 | J/mol×K | 838.66 | Joback Calculated Property |
| Cp,gas | 404.00 | J/mol×K | 874.52 | Joback Calculated Property |
| Cp,gas | 410.03 | J/mol×K | 910.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-((Prop-2-ynyloxy)carbonyl)benzoic acid.
Sources
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