- InChI
- InChI=1S/C10H10O4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
- InChI Key
- SLWIPPZWFZGHEU-UHFFFAOYSA-N
- Formula
- C10H10O4
- SMILES
- O=C(O)Cc1ccc(CC(=O)O)cc1
- Molecular Weight1
- 194.18
- CAS
- 7325-46-4
- Other Names
-
- p-Phenylenediacetic acid
- p-Benzenediacetic acid
- 1,4-Benzenediacetic acid
- 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).
- 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° | -395.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.64 | kJ/mol | Joback Calculated Property |
| log10WS | -1.28 | Crippen Calculated Property | |
| logPoct/wat | 0.941 | Crippen Calculated Property | |
| McVol | 142.880 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Tboil | 751.96 | K | Joback Calculated Property |
| Tc | 950.05 | K | Joback Calculated Property |
| Tfus | 462.90 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.29; 421.52] | J/mol×K | [751.96; 950.05] | 
|
| Cp,gas | 381.29 | J/mol×K | 751.96 | Joback Calculated Property |
| Cp,gas | 389.27 | J/mol×K | 784.98 | Joback Calculated Property |
| Cp,gas | 396.71 | J/mol×K | 817.99 | Joback Calculated Property |
| Cp,gas | 403.63 | J/mol×K | 851.01 | Joback Calculated Property |
| Cp,gas | 410.06 | J/mol×K | 884.02 | Joback Calculated Property |
| Cp,gas | 416.01 | J/mol×K | 917.04 | Joback Calculated Property |
| Cp,gas | 421.52 | J/mol×K | 950.05 | Joback Calculated Property |
| η | [0.0000129; 0.0009400] | Pa×s | [462.90; 751.96] |
|
| η | 0.0009400 | Pa×s | 462.90 | Joback Calculated Property |
| η | 0.0003283 | Pa×s | 511.08 | Joback Calculated Property |
| η | 0.0001374 | Pa×s | 559.25 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 607.43 | Joback Calculated Property |
| η | 0.0000354 | Pa×s | 655.61 | Joback Calculated Property |
| η | 0.0000206 | Pa×s | 703.78 | Joback Calculated Property |
| η | 0.0000129 | Pa×s | 751.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Phenylenediacetic acid.
Sources
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