- InChI
- InChI=1S/C10H12O3/c1-7-4-5-9(12-3)10(6-7)13-8(2)11/h4-6H,1-3H3
- InChI Key
- JYTWRNUPQPHEEK-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- COc1ccc(C)cc1OC(C)=O
- 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° | -212.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.02 | kJ/mol | Joback Calculated Property |
| log10WS | -2.38 | Crippen Calculated Property | |
| logPoct/wat | 1.929 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Inp | 1363.80 | NIST | |
| Tboil | 563.55 | K | Joback Calculated Property |
| Tc | 776.08 | K | Joback Calculated Property |
| Tfus | 348.31 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.48; 390.91] | J/mol×K | [563.55; 776.08] | 
|
| Cp,gas | 323.48 | J/mol×K | 563.55 | Joback Calculated Property |
| Cp,gas | 336.25 | J/mol×K | 598.97 | Joback Calculated Property |
| Cp,gas | 348.42 | J/mol×K | 634.39 | Joback Calculated Property |
| Cp,gas | 359.98 | J/mol×K | 669.82 | Joback Calculated Property |
| Cp,gas | 370.92 | J/mol×K | 705.24 | Joback Calculated Property |
| Cp,gas | 381.23 | J/mol×K | 740.66 | Joback Calculated Property |
| Cp,gas | 390.91 | J/mol×K | 776.08 | Joback Calculated Property |
| η | [0.0001686; 0.0010565] | Pa×s | [348.31; 563.55] |
|
| η | 0.0010565 | Pa×s | 348.31 | Joback Calculated Property |
| η | 0.0006746 | Pa×s | 384.18 | Joback Calculated Property |
| η | 0.0004650 | Pa×s | 420.06 | Joback Calculated Property |
| η | 0.0003399 | Pa×s | 455.93 | Joback Calculated Property |
| η | 0.0002601 | Pa×s | 491.80 | Joback Calculated Property |
| η | 0.0002064 | Pa×s | 527.68 | Joback Calculated Property |
| η | 0.0001686 | Pa×s | 563.55 | Joback Calculated Property |
Similar Compounds
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Sources
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