- InChI
- InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)
- InChI Key
- REIDAMBAPLIATC-UHFFFAOYSA-N
- Formula
- C9H8O4
- SMILES
- COC(=O)c1ccc(C(=O)O)cc1
- Molecular Weight1
- 180.16
- Other Names
-
- 1,4-benzenedicarboxylic acid, monomethyl ester
- 4-(carbomethoxy)benzoic acid
- hydrogen methyl terephthalate
- methyl hydrogen 1,4-benzenedicarboxylate
- monomethyl terephthalate
- terephthalic acid, monomethyl ester
- 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).
- 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 | 0.7700 | Relay (1.0) Calculated Property | |
| ΔfG° | -526.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -642.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.68 | kJ/mol | Vapor Pressures and Phase Changes Enthalpy and Gibbs Energy of Three Crystalline Monomethyl Benzenedicarboxylates |
| ΔvapH° | 103.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.97 | Aq. Solubility Prediction | |
| logPoct/wat | 1.171 | Crippen Calculated Property | |
| McVol | 128.790 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Tboil | 563.53 | K | Relay (1.0) Calculated Property |
| Tc | 796.72 | K | Relay (1.0) Calculated Property |
| Tfus | 494.65 | K | Aq. Solubility Prediction |
| Vc | 0.477 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.44; 363.65] | J/mol×K | [640.91; 867.83] | 
|
| Cp,gas | 314.44 | J/mol×K | 640.91 | Joback Calculated Property |
| Cp,gas | 324.50 | J/mol×K | 678.73 | Joback Calculated Property |
| Cp,gas | 333.79 | J/mol×K | 716.55 | Joback Calculated Property |
| Cp,gas | 342.33 | J/mol×K | 754.37 | Joback Calculated Property |
| Cp,gas | 350.14 | J/mol×K | 792.19 | Joback Calculated Property |
| Cp,gas | 357.24 | J/mol×K | 830.01 | Joback Calculated Property |
| Cp,gas | 363.65 | J/mol×K | 867.83 | Joback Calculated Property |
| η | [0.0001719; 0.0009614] | Pa×s | [433.06; 640.91] |
|
| η | 0.0009614 | Pa×s | 433.06 | Joback Calculated Property |
| η | 0.0006489 | Pa×s | 467.70 | Joback Calculated Property |
| η | 0.0004623 | Pa×s | 502.34 | Joback Calculated Property |
| η | 0.0003442 | Pa×s | 536.99 | Joback Calculated Property |
| η | 0.0002655 | Pa×s | 571.63 | Joback Calculated Property |
| η | 0.0002110 | Pa×s | 606.27 | Joback Calculated Property |
| η | 0.0001719 | Pa×s | 640.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxycarbonylbenzoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Vapor Pressures and Phase Changes Enthalpy and Gibbs Energy of Three Crystalline Monomethyl Benzenedicarboxylates
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
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