- 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
-
- Carbanilic acid, isopropyl ester
- Agermin
- Birgin
- Chem-Hoe
- Collavin
- Iso.PPC.
- Isopropyl carbanilate
- Isopropyl phenyl urethane
- Isopropyl phenylcarbamate
- Isopropyl phenylcarbmate
- IFK
- INPC
- IPC
- IPPC
- Profam
- Propham
- Tixit
- Tuberit
- Tuberite
- Y 2
- Isopropyl N-phenylcarbamate
- N-Phenylcarbamate d'isopropyle
- O-Isopropyl N-phenylcarbamate
- Ban-Hoe
- Beet-Kleen
- Isopropil-N-fenil-carbammato
- Isopropyl carbanilic acid ester
- Isopropyl-N-fenyl-carbamaat
- Isopropyl-N-phenyl-carbamat
- Isopropyl-N-phenylurethan
- IFC
- N-Phenyl isopropyl carbamate
- N-Phenylcarbamic acid, isopropyl ester
- Ortho grass killer
- Phenylcarbamic acid,1-methylethyl ester
- Prophame
- Triherbide
- Triherbide-IPC
- USAF D-9
- Isopropylester kyseliny karbanilove
- Premalox
- N-Phenyl-O-isopropylurethane
- Carbamate pesticide IPC
- 1-Methylethyl phenylcarbamate
- ISO.PPC
- IsoPPC
- Carbamic acid, phenyl, isopropyl ester
- Carbamic acid, N-phenyl-, 1-methylethyl ester
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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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 | |
| I | 2000.00 | NIST | |
| Tboil | 512.21 | K | Relay (1.0) Calculated Property |
| Tfus | [357.70; 360.45] | K |
|
| 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 |
|---|---|---|---|---|
| Cp,gas | [344.56; 417.07] | J/mol×K | [563.03; 777.90] |
|
| Cp,gas | 344.56 | J/mol×K | 563.03 | Joback Calculated Property |
| Cp,gas | 358.83 | J/mol×K | 598.84 | Joback Calculated Property |
| Cp,gas | 372.20 | J/mol×K | 634.65 | Joback Calculated Property |
| Cp,gas | 384.68 | J/mol×K | 670.47 | Joback Calculated Property |
| Cp,gas | 396.31 | J/mol×K | 706.28 | Joback Calculated Property |
| Cp,gas | 407.10 | J/mol×K | 742.09 | Joback Calculated Property |
| Cp,gas | 417.07 | J/mol×K | 777.90 | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to Carbamic acid, phenyl-, 1-methylethyl 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
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