- InChI
- InChI=1S/C10H10O5/c1-5-8(10(12)13-2)6(11)3-7-9(5)15-4-14-7/h3,11H,4H2,1-2H3
- InChI Key
- VPYDVSWMSWPSKV-UHFFFAOYSA-N
- Formula
- C10H10O5
- SMILES
- COC(=O)c1c(O)cc2c(c1C)OCO2
- Molecular Weight1
- 210.18
- 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 | 0.7401 | Relay (1.0) Calculated Property | |
| ΔfG° | -375.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -723.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.216 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Inp | [1618.00; 1626.00] |
|
|
| Inp | 1618.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Tboil | 563.23 | K | Relay (1.0) Calculated Property |
| Tc | 846.73 | K | Relay (1.0) Calculated Property |
| Tfus | 413.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.542 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.42; 435.37] | J/mol×K | [692.04; 927.74] |
|
| Cp,gas | 381.42 | J/mol×K | 692.04 | Joback Calculated Property |
| Cp,gas | 391.69 | J/mol×K | 731.32 | Joback Calculated Property |
| Cp,gas | 401.33 | J/mol×K | 770.61 | Joback Calculated Property |
| Cp,gas | 410.43 | J/mol×K | 809.89 | Joback Calculated Property |
| Cp,gas | 419.08 | J/mol×K | 849.17 | Joback Calculated Property |
| Cp,gas | 427.36 | J/mol×K | 888.45 | Joback Calculated Property |
| Cp,gas | 435.37 | J/mol×K | 927.74 | Joback Calculated Property |
| η | [0.0000402; 0.0002744] | Pa×s | [525.64; 692.04] |
|
| η | 0.0002744 | Pa×s | 525.64 | Joback Calculated Property |
| η | 0.0001839 | Pa×s | 553.37 | Joback Calculated Property |
| η | 0.0001280 | Pa×s | 581.11 | Joback Calculated Property |
| η | 0.0000921 | Pa×s | 608.84 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 636.57 | Joback Calculated Property |
| η | 0.0000518 | Pa×s | 664.31 | Joback Calculated Property |
| η | 0.0000402 | Pa×s | 692.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 6-hydroxy-2-methyl-3,4-methylenedioxy-benzoate.
Sources
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