- InChI
- InChI=1S/C10H13NO5/c1-14-6-4-5(10(12)13)7(11)9(16-3)8(6)15-2/h4H,11H2,1-3H3,(H,12,13)
- InChI Key
- JSHSRQCOCMIIPA-UHFFFAOYSA-N
- Formula
- C10H13NO5
- SMILES
- COc1cc(C(=O)O)c(N)c(OC)c1OC
- Molecular Weight1
- 227.21
- CAS
- 61948-85-4
- Other Names
-
- Benzoic acid, 2-amino-3,4,5-trimethoxy-
- 3,4,5-trimethoxyanthranilic acid
- 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 | 0.9454 | Relay (1.0) Calculated Property | |
| ΔfG° | -407.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -704.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.993 | Crippen Calculated Property | |
| McVol | 163.030 | ml/mol | McGowan Calculated Property |
| Pc | 3280.28 | kPa | Joback Calculated Property |
| Tboil | 612.43 | K | Relay (1.0) Calculated Property |
| Tc | 874.76 | K | Relay (1.0) Calculated Property |
| Tfus | 478.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.22; 498.44] | J/mol×K | [760.64; 966.95] | 
|
| Cp,gas | 449.22 | J/mol×K | 760.64 | Joback Calculated Property |
| Cp,gas | 459.23 | J/mol×K | 795.03 | Joback Calculated Property |
| Cp,gas | 468.56 | J/mol×K | 829.41 | Joback Calculated Property |
| Cp,gas | 477.17 | J/mol×K | 863.80 | Joback Calculated Property |
| Cp,gas | 485.04 | J/mol×K | 898.18 | Joback Calculated Property |
| Cp,gas | 492.14 | J/mol×K | 932.57 | Joback Calculated Property |
| Cp,gas | 498.44 | J/mol×K | 966.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-3,4,5-trimethoxybenzoic acid.
Sources
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