- InChI
- InChI=1S/C10H8O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h1,3-7H,8H2
- InChI Key
- QDKDRURRUQJPAD-UHFFFAOYSA-N
- Formula
- C10H8O3
- SMILES
- C#CCOC(=O)Oc1ccccc1
- Molecular Weight1
- 176.17
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 29.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 1.835 | Crippen Calculated Property | |
| McVol | 132.710 | ml/mol | McGowan Calculated Property |
| Pc | 3585.64 | kPa | Joback Calculated Property |
| Inp | [1310.00; 1310.00] |
|
|
| Inp | 1310.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Tboil | 543.71 | K | Joback Calculated Property |
| Tc | 769.49 | K | Joback Calculated Property |
| Tfus | 370.24 | K | Joback Calculated Property |
| Vc | 0.491 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.39; 347.69] | J/mol×K | [543.71; 769.49] |
|
| Cp,gas | 287.39 | J/mol×K | 543.71 | Joback Calculated Property |
| Cp,gas | 299.16 | J/mol×K | 581.34 | Joback Calculated Property |
| Cp,gas | 310.24 | J/mol×K | 618.97 | Joback Calculated Property |
| Cp,gas | 320.62 | J/mol×K | 656.60 | Joback Calculated Property |
| Cp,gas | 330.31 | J/mol×K | 694.23 | Joback Calculated Property |
| Cp,gas | 339.33 | J/mol×K | 731.86 | Joback Calculated Property |
| Cp,gas | 347.69 | J/mol×K | 769.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, propargyl phenyl ester.
Sources
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