- InChI
- InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
- InChI Key
- DTAPQAJKAFRNJB-UHFFFAOYSA-N
- Formula
- C12H16NO2
- SMILES
- CNC(=O)Oc1cc(C)cc(C(C)C)c1
- Molecular Weight1
- 206.26
- CAS
- 2631-37-0
- Other Names
-
- Carbamic acid, methyl-, m-cym-5-yl ester
- Carbamult
- m-Cym-5-yl methylcarbamate
- EP 316
- 3-Isopropyl-5-Methylphenyl methylcarbamate
- 3-Isopropyl-5-methylphenyl N-methylcarbamate
- ITC
- 3-Methyl-5-Isopropylphenyl methylcarbamate
- 3-Methyl-5-isopropylphenyl N-methylcarbamate
- Minacide
- Morton EP-316
- Promecarb
- Sch 34615
- Schering 34615
- Carbamic acid, N-methyl-, 3-methyl-5-isopropylphenyl ester
- ENT 27,300-a
- OMS 716
- Promecarbe
- Sn-316
- SN 34615
- UC 9880
- NSC 35378
- 5-Isopropyl-m-tolyl methylcarbamate
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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.
- 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 |
|---|---|---|---|
| ΔfG° | -3.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.61 | Crippen Calculated Property | |
| logPoct/wat | 2.837 | Crippen Calculated Property | |
| McVol | 173.600 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Inp | [1689.00; 1695.00] |
|
|
| Inp | 1689.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Tboil | 636.62 | K | Joback Calculated Property |
| Tc | 848.49 | K | Joback Calculated Property |
| Tfus | 362.48 ± 0.20 | K | NIST |
| Vc | 0.652 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.21; 521.54] | J/mol×K | [636.62; 848.49] |
|
| Cp,gas | 445.21 | J/mol×K | 636.62 | Joback Calculated Property |
| Cp,gas | 460.01 | J/mol×K | 671.93 | Joback Calculated Property |
| Cp,gas | 473.96 | J/mol×K | 707.24 | Joback Calculated Property |
| Cp,gas | 487.07 | J/mol×K | 742.56 | Joback Calculated Property |
| Cp,gas | 499.36 | J/mol×K | 777.87 | Joback Calculated Property |
| Cp,gas | 510.85 | J/mol×K | 813.18 | Joback Calculated Property |
| Cp,gas | 521.54 | J/mol×K | 848.49 | Joback Calculated Property |
| ΔfusH | 23.04 | kJ/mol | 361.30 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 3-methyl-5-(1-methylethyl)-, methylcarbamate.
Sources
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