- InChI
- InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
- InChI Key
- CWJJAFQCTXFSTA-UHFFFAOYSA-N
- Formula
- C9H8O4
- SMILES
- Cc1ccc(C(=O)O)c(C(=O)O)c1
- Molecular Weight1
- 180.16
- CAS
- 4316-23-8
- Other Names
-
- Phthalic acid, 4-methyl-
- 4-Methyl-1,2-benzenedicarboxylic acid
- 4-Methylphthalic acid
- 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 | 0.8667 | Relay (1.0) Calculated Property | |
| ΔfG° | -413.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.391 | Crippen Calculated Property | |
| McVol | 128.790 | ml/mol | McGowan Calculated Property |
| Pc | 4621.41 | kPa | Joback Calculated Property |
| Inp | 247.15 | NIST | |
| Tboil | 565.84 | K | Relay (1.0) Calculated Property |
| Tc | 850.90 | K | Relay (1.0) Calculated Property |
| Tfus | 431.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.42; 365.83] | J/mol×K | [734.06; 934.41] | 
|
| Cp,gas | 329.42 | J/mol×K | 734.06 | Joback Calculated Property |
| Cp,gas | 336.65 | J/mol×K | 767.45 | Joback Calculated Property |
| Cp,gas | 343.39 | J/mol×K | 800.84 | Joback Calculated Property |
| Cp,gas | 349.67 | J/mol×K | 834.24 | Joback Calculated Property |
| Cp,gas | 355.49 | J/mol×K | 867.63 | Joback Calculated Property |
| Cp,gas | 360.87 | J/mol×K | 901.02 | Joback Calculated Property |
| Cp,gas | 365.83 | J/mol×K | 934.41 | Joback Calculated Property |
| η | [0.0000155; 0.0008293] | Pa×s | [464.15; 734.06] |
|
| η | 0.0008293 | Pa×s | 464.15 | Joback Calculated Property |
| η | 0.0003189 | Pa×s | 509.13 | Joback Calculated Property |
| η | 0.0001432 | Pa×s | 554.12 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 599.11 | Joback Calculated Property |
| η | 0.0000404 | Pa×s | 644.09 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 689.07 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 734.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarboxylic acid, 4-methyl-.
Sources
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