- InChI
- InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)
- InChI Key
- QBSJMKIUCUGGNG-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CNC(=O)Oc1ccccc1C(C)C
- Molecular Weight1
- 193.24
- CAS
- 2631-40-5
- Other Names
-
- 2-(1-Methylethyl)-phenol methyl-carbamate
- 2-(1-Methylethyl)phenyl methylcarbamate
- 2-Isopropylphenyl N-methylcarbamate
- 2-Isopropylphenyl methylcarbamate
- BAY 105807
- BAYER 39731
- Bay 39731
- Bayer 39,731
- Carbamic acid, methyl-, 2-(1-methylethyl)phenyl ester
- Carbamic acid, methyl-, o-cumenyl ester
- Carbamic acid, methyl-, o-isopropylphenyl ester
- ENT 25670
- Etrofolan
- Hytox
- Isoprocarb
- Isoprocarbe
- Isopropyl phenylmethyl carbamate
- Isopropylphenol methylcarbamate
- KHE 0145
- MIPC
- Methylcarbamic acid, o-cumenyl ester
- Mipcin
- Mipcine
- Mipsin
- N-Methyl-2-isopropylphenylcarbamate
- NSC 191479
- O-Cumenyl N-methylcarbamate
- OMS 32
- PPC 3
- Phenol, o-isopropyl-, methylcarbamate
- Ro 7-5050
- o-Cumenyl methylcarbamate
- o-Isopropylphenol methylcarbamate
- o-Isopropylphenyl N-methylcarbamate
- o-Isopropylphenyl methylcarbamate
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- 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.
- I : 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -357.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.84 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.86; -2.86] |
|
|
| log10WS | -2.86 | Aq. Solubility Prediction | |
| log10WS | -2.86 | Estimated Solubility | |
| logPoct/wat | 2.528 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2679.08 | kPa | Joback Calculated Property |
| Inp | [205.40; 1548.00] |
|
|
| Inp | 1481.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | Outlier 205.40 | NIST | |
| I | 2085.00 | NIST | |
| Tboil | 529.11 | K | Relay (1.0) Calculated Property |
| Tc | 773.35 | K | Relay (1.0) Calculated Property |
| Tfus | 369.94 ± 0.20 | K | NIST |
| Vc | 0.566 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 | [391.85; 466.97] | J/mol×K | [590.89; 803.17] |
|
| Cp,gas | 391.85 | J/mol×K | 590.89 | Joback Calculated Property |
| Cp,gas | 406.55 | J/mol×K | 626.27 | Joback Calculated Property |
| Cp,gas | 420.35 | J/mol×K | 661.65 | Joback Calculated Property |
| Cp,gas | 433.27 | J/mol×K | 697.03 | Joback Calculated Property |
| Cp,gas | 445.34 | J/mol×K | 732.41 | Joback Calculated Property |
| Cp,gas | 456.57 | J/mol×K | 767.79 | Joback Calculated Property |
| Cp,gas | 466.97 | J/mol×K | 803.17 | Joback Calculated Property |
| ΔfusH | [26.14; 26.14] | kJ/mol | [369.30; 369.30] |
|
| ΔfusH | 26.14 | kJ/mol | 369.30 | NIST |
| ΔfusH | 26.14 | kJ/mol | 369.30 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 2-(1-methylethyl)-, methylcarbamate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility 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.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
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