- InChI
- InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-7,12H,2-3H2,1H3
- InChI Key
- KIEATOGEYUWTSR-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- COc1cc(CCC=O)ccc1O
- Molecular Weight1
- 180.20
- 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).
- 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° | -223.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.94 | kJ/mol | Joback Calculated Property |
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 1.532 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback Calculated Property |
| Inp | [1515.00; 1593.00] |
|
|
| Inp | 1593.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Tboil | 611.56 | K | Joback Calculated Property |
| Tc | 831.01 | K | Joback Calculated Property |
| Tfus | 417.35 | K | Joback Calculated Property |
| Vc | 0.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.47; 410.46] | J/mol×K | [611.56; 831.01] |
|
| Cp,gas | 350.47 | J/mol×K | 611.56 | Joback Calculated Property |
| Cp,gas | 362.06 | J/mol×K | 648.14 | Joback Calculated Property |
| Cp,gas | 372.93 | J/mol×K | 684.71 | Joback Calculated Property |
| Cp,gas | 383.15 | J/mol×K | 721.29 | Joback Calculated Property |
| Cp,gas | 392.78 | J/mol×K | 757.86 | Joback Calculated Property |
| Cp,gas | 401.86 | J/mol×K | 794.44 | Joback Calculated Property |
| Cp,gas | 410.46 | J/mol×K | 831.01 | Joback Calculated Property |
| η | [0.0000348; 0.0007649] | Pa×s | [417.35; 611.56] |
|
| η | 0.0007649 | Pa×s | 417.35 | Joback Calculated Property |
| η | 0.0003796 | Pa×s | 449.72 | Joback Calculated Property |
| η | 0.0002070 | Pa×s | 482.09 | Joback Calculated Property |
| η | 0.0001218 | Pa×s | 514.45 | Joback Calculated Property |
| η | 0.0000764 | Pa×s | 546.82 | Joback Calculated Property |
| η | 0.0000504 | Pa×s | 579.19 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 611.56 | Joback Calculated Property |
Similar Compounds
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Sources
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