- InChI
- InChI=1S/C10H13NO3/c1-3-14-10(12)11-8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3,(H,11,12)
- InChI Key
- KUGFZNSGTFZXML-UHFFFAOYSA-N
- Formula
- C10H13NO3
- SMILES
- CCOC(=O)Nc1ccc(OC)cc1
- Molecular Weight1
- 195.22
- CAS
- 7451-55-0
- Other Names
-
- Carbamic acid, 4-methoxyphenyl, ethyl 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).
- Inp : Non-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 | 0.6671 | Relay (1.0) Calculated Property | |
| ΔfG° | -113.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.264 | Crippen Calculated Property | |
| McVol | 151.290 | ml/mol | McGowan Calculated Property |
| Pc | 3018.96 | kPa | Joback Calculated Property |
| Inp | [1632.00; 1639.00] |
|
|
| Inp | 1632.00 | NIST | |
| Inp | 1639.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Tboil | 579.37 | K | Relay (1.0) Calculated Property |
| Tc | 785.93 | K | Relay (1.0) Calculated Property |
| Tfus | 361.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.553 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.89; 439.52] | J/mol×K | [608.74; 820.04] |
|
| Cp,gas | 371.89 | J/mol×K | 608.74 | Joback Calculated Property |
| Cp,gas | 384.97 | J/mol×K | 643.96 | Joback Calculated Property |
| Cp,gas | 397.32 | J/mol×K | 679.17 | Joback Calculated Property |
| Cp,gas | 408.96 | J/mol×K | 714.39 | Joback Calculated Property |
| Cp,gas | 419.87 | J/mol×K | 749.61 | Joback Calculated Property |
| Cp,gas | 430.05 | J/mol×K | 784.82 | Joback Calculated Property |
| Cp,gas | 439.52 | J/mol×K | 820.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-methoxy carbanilic acid, ethyl ester.
Sources
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