- InChI
- InChI=1S/C11H14O3/c1-3-8-14-11(12)9-6-4-5-7-10(9)13-2/h4-7H,3,8H2,1-2H3
- InChI Key
- RKNMLBOVBRNMFX-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- CCCOC(=O)c1ccccc1OC
- Molecular Weight1
- 194.23
- 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 | 0.6241 | Relay (... Calculated Property | |
| ΔfG° | -194.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -466.36 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -3.11 | Relay (... Calculated Property | |
| logPoct/wat | 2.262 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| Inp | 1514.00 | NIST | |
| Tboil | 549.21 | K | Relay (... Calculated Property |
| Tc | 731.60 | K | Relay (... Calculated Property |
| Tfus | 265.45 | K | Relay (... Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.80; 443.58] | J/mol×K | [581.45; 789.55] | 
|
| Cp,gas | 370.80 | J/mol×K | 581.45 | Joback Calculated Property |
| Cp,gas | 384.70 | J/mol×K | 616.13 | Joback Calculated Property |
| Cp,gas | 397.90 | J/mol×K | 650.82 | Joback Calculated Property |
| Cp,gas | 410.38 | J/mol×K | 685.50 | Joback Calculated Property |
| Cp,gas | 422.16 | J/mol×K | 720.18 | Joback Calculated Property |
| Cp,gas | 433.22 | J/mol×K | 754.87 | Joback Calculated Property |
| Cp,gas | 443.58 | J/mol×K | 789.55 | Joback Calculated Property |
| η | [0.0001589; 0.0013141] | Pa×s | [347.06; 581.45] |
|
| η | 0.0013141 | Pa×s | 347.06 | Joback Calculated Property |
| η | 0.0007734 | Pa×s | 386.12 | Joback Calculated Property |
| η | 0.0005017 | Pa×s | 425.19 | Joback Calculated Property |
| η | 0.0003501 | Pa×s | 464.25 | Joback Calculated Property |
| η | 0.0002583 | Pa×s | 503.32 | Joback Calculated Property |
| η | 0.0001991 | Pa×s | 542.38 | Joback Calculated Property |
| η | 0.0001589 | Pa×s | 581.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-methoxy-, propyl ester.
Sources
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