- InChI
- InChI=1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3
- InChI Key
- DSSKDXUDARIMTR-UHFFFAOYSA-N
- Formula
- C10H11NO4
- SMILES
- COC(=O)c1ccc(C(=O)OC)c(N)c1
- Molecular Weight1
- 209.20
- CAS
- 5372-81-6
- Other Names
-
- Dimethyl aminoterephthalate
- 2-Aminoterephthalic acid dimethyl ester
- Dimethyl 2-aminoterephthalate
- Aminoterephthalic acid dimethyl ester
- Dimethyl 3-aminoterephthalate
- Terephthalic acid, amino-, dimethyl ester
- 3-Amino-4-methoxycarbonylbenzoic acid, methyl ester
- 2-Amino-1,4-benzenedicarboxylic acid, dimethyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.7283 | Relay (1.0) Calculated Property | |
| ΔfG° | -274.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -629.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.842 | Crippen Calculated Property | |
| McVol | 152.860 | ml/mol | McGowan Calculated Property |
| Pc | 3348.98 | kPa | Joback Calculated Property |
| Tboil | 593.86 | K | Relay (1.0) Calculated Property |
| Tc | 805.45 | K | Relay (1.0) Calculated Property |
| Tfus | 389.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.39; 448.43] | J/mol×K | [689.95; 916.45] | 
|
| Cp,gas | 392.39 | J/mol×K | 689.95 | Joback Calculated Property |
| Cp,gas | 403.72 | J/mol×K | 727.70 | Joback Calculated Property |
| Cp,gas | 414.26 | J/mol×K | 765.45 | Joback Calculated Property |
| Cp,gas | 424.02 | J/mol×K | 803.20 | Joback Calculated Property |
| Cp,gas | 432.97 | J/mol×K | 840.95 | Joback Calculated Property |
| Cp,gas | 441.11 | J/mol×K | 878.70 | Joback Calculated Property |
| Cp,gas | 448.43 | J/mol×K | 916.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenedicarboxylic acid, 2-amino-, dimethyl ester.
Sources
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