- InChI
- InChI=1S/C10H12ClNO2/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)
- InChI Key
- QRTXZGIQTYDABO-UHFFFAOYSA-N
- Formula
- C10H12ClNO2
- SMILES
- CNC(=O)Oc1cc(C)c(C)cc1Cl
- Molecular Weight1
- 213.66
- CAS
- 671-04-5
- Other Names
-
- Phenol, 2-chloro-4,5-dimethyl-, methylcarbamate
- Carbamic acid, methyl-, 6-chloro-3,4-xylyl ester
- Banol
- 3,4-Dimethyl-6-chlorophenyl N-methylcarbamate
- 6-Chloro-3,4-dimethylphenyl N-methylcarbamate
- 6-Chloro-3,4-xylyl methylcarbamate
- Banol tuco sok
- Carbamic acid, methyl-, (2-chloro-4,5-dimethyl)phenyl ester
- Carbamic acid, methyl-, 2-chloro-4,5-xylyl ester
- 2-Chloro-4,5-dimethylphenyl methylcarbamate
- Chloroxylam
- 6-Chloro-3,4-xylenyl N-methylcarbamate
- 2-Chloro-4,5-xylyl N-methylcarbamate
- 6-Chloro-3,4-xylyl N-methylcarbamate
- OMS-174
- SOK
- U 12927
- U-17004
- UPJOHN U-12,927
- 3,4-Xylyl-6-chloro-N-methylcarbamate
- ω : Acentric Factor.
- 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).
- 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).
- Pc : Critical Pressure (kPa).
- 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 |
|---|---|---|---|
| ω | 0.6444 | Relay (1.0) Calculated Property | |
| ΔfG° | -39.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.675 | Crippen Calculated Property | |
| McVol | 157.660 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Tboil | 541.10 | K | Relay (1.0) Calculated Property |
| Tc | 809.20 | K | Relay (1.0) Calculated Property |
| Tfus | 380.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.568 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.82; 432.56] | J/mol×K | [633.71; 852.99] | 
|
| Cp,gas | 370.82 | J/mol×K | 633.71 | Joback Calculated Property |
| Cp,gas | 382.84 | J/mol×K | 670.26 | Joback Calculated Property |
| Cp,gas | 394.16 | J/mol×K | 706.80 | Joback Calculated Property |
| Cp,gas | 404.79 | J/mol×K | 743.35 | Joback Calculated Property |
| Cp,gas | 414.73 | J/mol×K | 779.89 | Joback Calculated Property |
| Cp,gas | 423.99 | J/mol×K | 816.44 | Joback Calculated Property |
| Cp,gas | 432.56 | J/mol×K | 852.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbanolate.
Sources
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