- InChI
- InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
- InChI Key
- BLFLLBZGZJTVJG-UHFFFAOYSA-N
- Formula
- C9H11NO2
- SMILES
- CCOC(=O)c1ccc(N)cc1
- Molecular Weight1
- 165.19
- CAS
- 94-09-7
- Other Names
-
- 4-aminobenzoic acid, ethyl ester
- Benzoic acid, 4-amino-, ethyl ester
- Ethyl-p-aminobenzoate
- ethyl 4-aminobenzoate
- ethyl p-aminobenzoate
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔcH°solid | [-4697.80; -4694.90] | kJ/mol |
|
| ΔcH°solid | -4694.90 ± 0.80 | kJ/mol | NIST |
| ΔcH°solid | -4697.80 ± 0.80 | kJ/mol | NIST |
| ΔfG° | -39.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.36 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.74; -2.10] |
|
|
| log10WS | -2.16 | Aq. Sol... | |
| log10WS | -2.74 | Aq. Sol... | |
| log10WS | -2.10 | Estimat... | |
| log10WS | -2.62 | Rytting... | |
| logPoct/wat | 1.446 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Inp | [1513.00; 1574.00] |
|
|
| Inp | 1561.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Tboil | 585.80 | K | Joback Calculated Property |
| Tc | 812.12 | K | Joback Calculated Property |
| Tfus | [344.15; 363.00] | K |
|
| Tfus | 362.90 | K | Aq. Sol... |
| Tfus | 362.90 | K | Aq. Sol... |
| Tfus | 362.70 ± 0.50 | K | NIST |
| Tfus | 363.00 ± 0.50 | K | NIST |
| Tfus | 363.00 ± 0.50 | K | NIST |
| Tfus | 362.00 ± 1.00 | K | NIST |
| Tfus | 363.00 ± 1.00 | K | NIST |
| Tfus | Outlier 344.15 ± 1.00 | K | NIST |
| Ttriple | 363.20 | K | Solubil... |
| Vc | 0.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.15; 372.45] | J/mol×K | [585.80; 812.12] |
|
| Cp,gas | 310.15 | J/mol×K | 585.80 | Joback Calculated Property |
| Cp,gas | 322.35 | J/mol×K | 623.52 | Joback Calculated Property |
| Cp,gas | 333.81 | J/mol×K | 661.24 | Joback Calculated Property |
| Cp,gas | 344.53 | J/mol×K | 698.96 | Joback Calculated Property |
| Cp,gas | 354.54 | J/mol×K | 736.68 | Joback Calculated Property |
| Cp,gas | 363.84 | J/mol×K | 774.40 | Joback Calculated Property |
| Cp,gas | 372.45 | J/mol×K | 812.12 | Joback Calculated Property |
| ΔfusH | [23.56; 24.60] | kJ/mol | [362.60; 362.80] |
|
| ΔfusH | 24.60 | kJ/mol | 362.60 | NIST |
| ΔfusH | 23.56 | kJ/mol | 362.80 | NIST |
Similar Compounds
Find more compounds similar to benzocaine.
Mixtures
- benzocaine + Methyl Alcohol
- Ethanol + benzocaine
- 1-Propanol + benzocaine
- 1-Butanol + benzocaine
- 1-Propanol, 2-methyl- + benzocaine
- 1-Butanol, 3-methyl- + benzocaine
- Carbon dioxide + benzocaine
- Ethylparaben + Carbon dioxide + benzocaine
Sources
- Crippen Method
- Single-component and mixture solubilities of ethyl p-hydroxybenzoate and ethyl p-aminobenzoate in supercritical CO2
- Solubility of Ethyl p-Aminobenzoate in Six Alcohols within (283.15 to 327.15) K
- Solubilities of the Drugs Benzocaine, Metronidazole Benzoate, and Naproxen in Supercritical Carbon Dioxide
- The Solubility of Benzocaine, Lidocaine, and Procaine in Liquid and Supercritical Carbon Dioxide
- Joback Method
- Aqueous Solubility Prediction Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.