- InChI
- InChI=1S/C11H16N2O2/c1-12(2)9-6-5-7-10(8-9)15-11(14)13(3)4/h5-8H,1-4H3
- InChI Key
- FWNHTEHWJKUVPG-UHFFFAOYSA-N
- Formula
- C11H16N2O2
- SMILES
- CN(C)C(=O)Oc1cccc(N(C)C)c1
- Molecular Weight1
- 208.26
- CAS
- 16088-19-0
- Other Names
-
- 3-dimethylaminophenyl dimethylcarbamate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -269.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.23 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.813 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Inp | [1850.00; 1850.00] |
|
|
| Inp | 1850.00 | NIST | |
| Inp | 1850.00 | NIST | |
| Tboil | 558.91 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.48; 549.43] | 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 | -2.26900e+01 | |||
| Coefficient B | 1.10348e+00 | |||
| Coefficient C | -6.69360e-04 | |||
| Coefficient D | 1.38000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 231.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 290.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 341.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 387.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 426.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 460.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 489.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 513.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 533.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 549.43 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, dimethyl-, 3-(dimethylamino)phenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- 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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