- InChI
- InChI=1S/C12H17NO2/c1-3-4-9-15-12(14)10-7-5-6-8-11(10)13-2/h5-8,13H,3-4,9H2,1-2H3
- InChI Key
- FDQBIXWYPOVREH-UHFFFAOYSA-N
- Formula
- C12H17NO2
- SMILES
- CCCCOC(=O)c1ccccc1NC
- Molecular Weight1
- 207.27
- CAS
- 15236-34-7
- Other Names
-
- Butyl N-methyl anthranilate
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.6806 | Relay (1.0) Calculated Property | |
| ΔfG° | 8.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -334.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.685 | Crippen Calculated Property | |
| McVol | 173.600 | ml/mol | McGowan Calculated Property |
| Pc | 2512.55 | kPa | Joback Calculated Property |
| Inp | [1660.00; 1660.00] |
|
|
| Inp | 1660.00 | NIST | |
| Inp | 1660.00 | NIST | |
| I | [2266.00; 2266.00] |
|
|
| I | 2266.00 | NIST | |
| I | 2266.00 | NIST | |
| Tboil | 568.49 | K | Relay (1.0) Calculated Property |
| Tc | 782.18 | K | Relay (1.0) Calculated Property |
| Tfus | 274.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.39; 521.13] | J/mol×K | [632.08; 839.02] |
|
| Cp,gas | 445.39 | J/mol×K | 632.08 | Joback Calculated Property |
| Cp,gas | 460.06 | J/mol×K | 666.57 | Joback Calculated Property |
| Cp,gas | 473.88 | J/mol×K | 701.06 | Joback Calculated Property |
| Cp,gas | 486.88 | J/mol×K | 735.55 | Joback Calculated Property |
| Cp,gas | 499.08 | J/mol×K | 770.04 | Joback Calculated Property |
| Cp,gas | 510.49 | J/mol×K | 804.53 | Joback Calculated Property |
| Cp,gas | 521.13 | J/mol×K | 839.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anthranilic acid, N-methyl-, butyl ester.
Sources
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