- InChI
- InChI=1S/C11H15NO2/c1-3-9-5-7-10(8-6-9)12-11(13)14-4-2/h5-8H,3-4H2,1-2H3,(H,12,13)
- InChI Key
- XUOKZZQCBBMUKF-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CCOC(=O)Nc1ccc(CC)cc1
- Molecular Weight1
- 193.24
- 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 | 0.6429 | Relay (1.0) Calculated Property | |
| ΔfG° | -76.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.817 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Inp | [1589.00; 1592.00] |
|
|
| Inp | 1589.00 | NIST | |
| Inp | 1592.00 | NIST | |
| Inp | 1591.00 | NIST | |
| Inp | 1589.00 | NIST | |
| Tboil | 557.08 | K | Relay (1.0) Calculated Property |
| Tc | 782.17 | K | Relay (1.0) Calculated Property |
| Tfus | 311.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.65; 510.26] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.51800e+00 | |||
| Coefficient B | 9.31840e-01 | |||
| Coefficient C | -4.92760e-04 | |||
| Coefficient D | 7.37000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 268.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 315.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 356.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 393.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 425.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 452.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 475.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 494.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 510.26 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, 4-ethylphenyl, ethyl ester.
Sources
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