- InChI
- InChI=1S/C10H10O3/c1-2-3-7-4-9-10(5-8(7)11)13-6-12-9/h2,4-5,11H,1,3,6H2
- InChI Key
- HSDKTWGTSNDEBZ-UHFFFAOYSA-N
- Formula
- C10H10O3
- SMILES
- C=CCc1cc2c(cc1O)OCO2
- Molecular Weight1
- 178.18
- CAS
- 19202-23-4
- 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 | 0.6028 | Relay (... Calculated Property | |
| ΔfG° | -44.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.01 | kJ/mol | Relay (... Calculated Property |
| IE | 7.90 | eV | Relay (... Calculated Property |
| log10WS | -2.44 | Relay (... Calculated Property | |
| logPoct/wat | 1.849 | Crippen Calculated Property | |
| McVol | 130.450 | ml/mol | McGowan Calculated Property |
| Pc | 4211.09 | kPa | Joback Calculated Property |
| Inp | 1547.00 | NIST | |
| Tboil | 554.69 | K | Relay (... Calculated Property |
| Tc | 804.98 | K | Relay (... Calculated Property |
| Tfus | 353.44 | K | Relay (... Calculated Property |
| Vc | 0.477 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.75; 385.54] | J/mol×K | [607.45; 844.46] | 
|
| Cp,gas | 328.75 | J/mol×K | 607.45 | Joback Calculated Property |
| Cp,gas | 339.95 | J/mol×K | 646.95 | Joback Calculated Property |
| Cp,gas | 350.28 | J/mol×K | 686.45 | Joback Calculated Property |
| Cp,gas | 359.88 | J/mol×K | 725.95 | Joback Calculated Property |
| Cp,gas | 368.87 | J/mol×K | 765.46 | Joback Calculated Property |
| Cp,gas | 377.38 | J/mol×K | 804.96 | Joback Calculated Property |
| Cp,gas | 385.54 | J/mol×K | 844.46 | Joback Calculated Property |
| η | [0.0000755; 0.0008382] | Pa×s | [439.20; 607.45] |
|
| η | 0.0008382 | Pa×s | 439.20 | Joback Calculated Property |
| η | 0.0004976 | Pa×s | 467.24 | Joback Calculated Property |
| η | 0.0003134 | Pa×s | 495.28 | Joback Calculated Property |
| η | 0.0002074 | Pa×s | 523.33 | Joback Calculated Property |
| η | 0.0001431 | Pa×s | 551.37 | Joback Calculated Property |
| η | 0.0001024 | Pa×s | 579.41 | Joback Calculated Property |
| η | 0.0000755 | Pa×s | 607.45 | Joback Calculated Property |
Similar Compounds
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Sources
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