- InChI
- InChI=1S/C11H12O4/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h3-6H,2,7H2,1H3,(H,12,13)
- InChI Key
- NFOQRIXSEYVCJP-UHFFFAOYSA-N
- Formula
- C11H12O4
- SMILES
- CCCOC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 208.21
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 1-propyl ester
- Propyl hydrogen phthalate
- Monopropyl phthalate
- Phthalic acid, monopropyl ester
- 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° | -355.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.60 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 1.952 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 3239.34 | kPa | Joback Calculated Property |
| Inp | 1731.00 | NIST | |
| Tboil | 705.08 | K | Joback Calculated Property |
| Tc | 908.75 | K | Joback Calculated Property |
| Tfus | 435.58 | K | Joback Calculated Property |
| Vc | 0.593 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.52; 464.18] | J/mol×K | [705.08; 908.75] | 
|
| Cp,gas | 411.52 | J/mol×K | 705.08 | Joback Calculated Property |
| Cp,gas | 421.94 | J/mol×K | 739.02 | Joback Calculated Property |
| Cp,gas | 431.69 | J/mol×K | 772.97 | Joback Calculated Property |
| Cp,gas | 440.78 | J/mol×K | 806.91 | Joback Calculated Property |
| Cp,gas | 449.21 | J/mol×K | 840.86 | Joback Calculated Property |
| Cp,gas | 457.00 | J/mol×K | 874.80 | Joback Calculated Property |
| Cp,gas | 464.18 | J/mol×K | 908.75 | Joback Calculated Property |
| η | [0.0000495; 0.0012318] | Pa×s | [435.58; 705.08] |
|
| η | 0.0012318 | Pa×s | 435.58 | Joback Calculated Property |
| η | 0.0005613 | Pa×s | 480.50 | Joback Calculated Property |
| η | 0.0002925 | Pa×s | 525.41 | Joback Calculated Property |
| η | 0.0001690 | Pa×s | 570.33 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 615.25 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 660.16 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 705.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Propoxycarbonyl)benzoic acid.
Sources
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