- InChI
- InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
- InChI Key
- VXPLXMJHHKHSOA-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- CC(C)OC(=O)Nc1ccccc1
- Molecular Weight1
- 179.22
- CAS
- 122-42-9
- Other Names
-
- 1-Methylethyl phenylcarbamate
- Agermin
- Ban-Hoe
- Beet-Kleen
- Birgin
- Carbamate pesticide IPC
- Carbamic acid, N-phenyl-, 1-methylethyl ester
- Carbamic acid, phenyl, isopropyl ester
- Carbanilic acid, isopropyl ester
- Chem-Hoe
- Collavin
- IFC
- IFK
- INPC
- IPC
- IPPC
- ISO.PPC
- Iso.PPC.
- IsoPPC
- Isopropil-N-fenil-carbammato
- Isopropyl N-phenylcarbamate
- Isopropyl carbanilate
- Isopropyl carbanilic acid ester
- Isopropyl phenyl urethane
- Isopropyl phenylcarbamate
- Isopropyl phenylcarbmate
- Isopropyl-N-fenyl-carbamaat
- Isopropyl-N-phenyl-carbamat
- Isopropyl-N-phenylurethan
- Isopropylester kyseliny karbanilove
- N-Phenyl isopropyl carbamate
- N-Phenyl-O-isopropylurethane
- N-Phenylcarbamate d'isopropyle
- N-Phenylcarbamic acid, isopropyl ester
- O-Isopropyl N-phenylcarbamate
- Ortho grass killer
- Phenylcarbamic acid,1-methylethyl ester
- Premalox
- Profam
- Propham
- Prophame
- Tixit
- Triherbide
- Triherbide-IPC
- Tuberit
- Tuberite
- USAF D-9
- Y 2
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -5351.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 21.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.643 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Inp | [1423.00; 1477.00] |
|
|
| Inp | 1438.00 | NIST | |
| Inp | 1456.00 | NIST | |
| Inp | Outlier 1477.00 | NIST | |
| Inp | 1431.00 | NIST | |
| Inp | 1432.00 | NIST | |
| Inp | 1434.00 | NIST | |
| Inp | 1437.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1423.00 | NIST | |
| Inp | 1449.00 | NIST | |
| Inp | 1453.00 | NIST | |
| Inp | 1438.00 | NIST | |
| Inp | 1434.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Ip | 2000.00 | NIST | |
| Tboil | 512.21 | K | Relay (1.0) Calculated Property |
| Tfus | [357.70; 360.80] | K |
|
| Tfus | 360.80 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 360.45 ± 0.20 | K | NIST |
| Tfus | 357.70 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [19.37; 19.37] | kJ/mol | [359.50; 359.50] |
|
| ΔfusH | 19.37 | kJ/mol | 359.50 | NIST |
| ΔfusH | 19.37 | kJ/mol | 359.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.57; 462.25] | 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 | -1.75900e+01 | |||
| Coefficient B | 9.02240e-01 | |||
| Coefficient C | -5.08600e-04 | |||
| Coefficient D | 8.62000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 241.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 285.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 324.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 357.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 386.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 411.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 432.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 448.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 462.25 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, phenyl-, 1-methylethyl ester.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
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