- InChI
- InChI=1S/C8H10O4/c1-4-6(2)12-8(10)5-11-7(3)9/h1,6H,5H2,2-3H3
- InChI Key
- URQUXNXZRILLOT-UHFFFAOYSA-N
- Formula
- C8H10O4
- SMILES
- C#CC(C)OC(=O)COC(C)=O
- Molecular Weight1
- 170.16
- 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).
- 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 | 0.4595 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.114 | Crippen Calculated Property | |
| McVol | 129.860 | ml/mol | McGowan Calculated Property |
| Pc | 3310.55 | kPa | Joback Calculated Property |
| Tboil | 470.25 | K | Relay (1.0) Calculated Property |
| Tc | 640.83 | K | Relay (1.0) Calculated Property |
| Tfus | 302.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.468 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.01; 341.85] | J/mol×K | [524.70; 724.76] | 
|
| Cp,gas | 287.01 | J/mol×K | 524.70 | Joback Calculated Property |
| Cp,gas | 297.25 | J/mol×K | 558.04 | Joback Calculated Property |
| Cp,gas | 307.05 | J/mol×K | 591.39 | Joback Calculated Property |
| Cp,gas | 316.43 | J/mol×K | 624.73 | Joback Calculated Property |
| Cp,gas | 325.35 | J/mol×K | 658.07 | Joback Calculated Property |
| Cp,gas | 333.83 | J/mol×K | 691.42 | Joback Calculated Property |
| Cp,gas | 341.85 | J/mol×K | 724.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoxyacetic acid, but-3-yn-2-yl ester.
Sources
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