- InChI
- InChI=1S/C16H16O4/c1-18-14-9-5-3-7-12(14)11-20-16(17)13-8-4-6-10-15(13)19-2/h3-10H,11H2,1-2H3
- InChI Key
- NNLUYJMVNPPSPE-UHFFFAOYSA-N
- Formula
- C16H16O4
- SMILES
- COc1ccccc1COC(=O)c1ccccc1OC
- Molecular Weight1
- 272.30
- 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° | -154.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.06 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.061 | Crippen Calculated Property | |
| McVol | 207.960 | ml/mol | McGowan Calculated Property |
| Pc | 2246.13 | kPa | Joback Calculated Property |
| Inp | 2234.00 | NIST | |
| Tboil | 749.93 | K | Joback Calculated Property |
| Tc | 978.33 | K | Joback Calculated Property |
| Tfus | 464.58 | K | Joback Calculated Property |
| Vc | 0.775 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.92; 641.56] | J/mol×K | [749.93; 978.33] | 
|
| Cp,gas | 569.92 | J/mol×K | 749.93 | Joback Calculated Property |
| Cp,gas | 584.80 | J/mol×K | 788.00 | Joback Calculated Property |
| Cp,gas | 598.50 | J/mol×K | 826.06 | Joback Calculated Property |
| Cp,gas | 611.02 | J/mol×K | 864.13 | Joback Calculated Property |
| Cp,gas | 622.38 | J/mol×K | 902.20 | Joback Calculated Property |
| Cp,gas | 632.55 | J/mol×K | 940.26 | Joback Calculated Property |
| Cp,gas | 641.56 | J/mol×K | 978.33 | Joback Calculated Property |
| η | [0.0000737; 0.0005232] | Pa×s | [464.58; 749.93] |
|
| η | 0.0005232 | Pa×s | 464.58 | Joback Calculated Property |
| η | 0.0003242 | Pa×s | 512.14 | Joback Calculated Property |
| η | 0.0002180 | Pa×s | 559.70 | Joback Calculated Property |
| η | 0.0001559 | Pa×s | 607.25 | Joback Calculated Property |
| η | 0.0001171 | Pa×s | 654.81 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 702.37 | Joback Calculated Property |
| η | 0.0000737 | Pa×s | 749.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxybenzoic acid, 2-methoxybenzyl ester.
Sources
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