- InChI
- InChI=1S/C10H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3
- InChI Key
- NBFQYHKHPBMJJV-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- CCCOC(=O)c1ccc(N)cc1
- Molecular Weight1
- 179.22
- CAS
- 94-12-2
- Other Names
-
- 4-(Propoxycarbonyl)aniline
- Benzoic acid, 4-amino-, propyl ester
- Benzoic acid, p-amino-, propyl ester
- Keloform P
- NSC-23516
- Propaesin
- Propazyl
- Propesin
- Propesine
- Propyl 4-aminobenzoate
- Propyl-p-amino benzoate
- Propylcain
- Raythesin
- n-Propyl p-aminobenzoate
- n-Propyl-4-aminobenzoate
- p-Aminobenzoic acid, propyl ester
- propyl-p-aminobenzoate
- 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ΔfG° | -31.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -235.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.59 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.45; -2.33] |
|
|
| log10WS | -2.33 | Aq. Sol... | |
| log10WS | -2.45 | Estimat... | |
| logPoct/wat | 1.836 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Inp | [1659.00; 1731.00] |
|
|
| Inp | 1731.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Tboil | 608.68 | K | Joback Calculated Property |
| Tc | 830.79 | K | Joback Calculated Property |
| Tfus | [345.80; 347.65] | K |
|
| Tfus | 347.65 | K | Aq. Sol... |
| Tfus | 345.80 ± 0.50 | K | NIST |
| Tfus | 347.00 ± 0.50 | K | NIST |
| Tfus | 346.00 ± 0.50 | K | NIST |
| Tfus | 346.00 ± 1.00 | K | NIST |
| Vc | 0.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.09; 423.76] | J/mol×K | [608.68; 830.79] |
|
| Cp,gas | 357.09 | J/mol×K | 608.68 | Joback Calculated Property |
| Cp,gas | 370.13 | J/mol×K | 645.70 | Joback Calculated Property |
| Cp,gas | 382.38 | J/mol×K | 682.72 | Joback Calculated Property |
| Cp,gas | 393.85 | J/mol×K | 719.74 | Joback Calculated Property |
| Cp,gas | 404.56 | J/mol×K | 756.76 | Joback Calculated Property |
| Cp,gas | 414.52 | J/mol×K | 793.78 | Joback Calculated Property |
| Cp,gas | 423.76 | J/mol×K | 830.79 | Joback Calculated Property |
| ΔfusH | [20.54; 20.54] | kJ/mol | [347.10; 347.10] |
|
| ΔfusH | 20.54 | kJ/mol | 347.10 | NIST |
| ΔfusH | 20.54 | kJ/mol | 347.10 | NIST |
| ΔfusS | 64.61 | J/mol×K | 347.10 | NIST |
Similar Compounds
Find more compounds similar to Risocaine.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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