- InChI
- InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
- InChI Key
- LLWADFLAOKUBDR-UHFFFAOYSA-N
- Formula
- C10H13ClO3
- SMILES
- Cc1cc(Cl)ccc1OCCCC(=O)O
- Molecular Weight1
- 216.66
- CAS
- 94-81-5
- Other Names
-
- Butyric acid, 4-[(4-chloro-o-tolyl)oxy]-
- «gamma»-MCPB
- (2-Methyl-4-Chlorophenoxy)butyric acid
- (4-Chloro-2-methylphenoxy)butyric acid
- [(4-Chloro-o-tolyl)oxy]butyric acid
- Bexone
- MCPB
- Thitrol
- Trifolex
- U46 MCPB
- 2,4-MCPB
- 2M 4KhM
- 2M-4XM
- 4-(2-Methyl-4-Chlorophenoxy)butyric acid
- 4-(4-Chloro-2-methylphenoxy)butanoic acid
- 4-(4-Chloro-2-methylphenoxy)butyric acid
- 4MCPB
- 4-(4-Chloro-o-tolyloxy)butyric acid
- «gamma»-(2-Methyl-4-chlorophenoxy)butyric acid
- «gamma»-(4-Chloro-2-methylphenoxy)butyric acid
- Bexane
- Legumex
- MCP-Butyric
- PDQ
- Tritrol
- Trotox
- 4-(4-Chlor-2-methyl-phenoxy)-buttersaeure
- Kyselina 4-(4-chlor-2-methylfenoxy)maselna
- MB 3046
- 4-(2-Methyl-4-chlorphenoxy)-buttersaeure
- Belmac straight
- Fisons 18-15, MCPB
- NSC 102796
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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° | -247.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.90 | kJ/mol | Joback Calculated Property |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 2.892 | Crippen Calculated Property | |
| McVol | 167.640 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Inp | 1820.00 | NIST | |
| Tboil | 693.62 | K | Joback Calculated Property |
| Tc | 895.15 | K | Joback Calculated Property |
| Tfus | 428.09 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.70; 476.57] | J/mol×K | [693.62; 895.15] | 
|
| Cp,gas | 421.70 | J/mol×K | 693.62 | Joback Calculated Property |
| Cp,gas | 432.40 | J/mol×K | 727.21 | Joback Calculated Property |
| Cp,gas | 442.46 | J/mol×K | 760.80 | Joback Calculated Property |
| Cp,gas | 451.90 | J/mol×K | 794.39 | Joback Calculated Property |
| Cp,gas | 460.72 | J/mol×K | 827.97 | Joback Calculated Property |
| Cp,gas | 468.94 | J/mol×K | 861.56 | Joback Calculated Property |
| Cp,gas | 476.57 | J/mol×K | 895.15 | Joback Calculated Property |
| η | [0.0000470; 0.0011115] | Pa×s | [428.09; 693.62] |
|
| η | 0.0011115 | Pa×s | 428.09 | Joback Calculated Property |
| η | 0.0005126 | Pa×s | 472.34 | Joback Calculated Property |
| η | 0.0002699 | Pa×s | 516.60 | Joback Calculated Property |
| η | 0.0001573 | Pa×s | 560.86 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 605.11 | Joback Calculated Property |
| η | 0.0000666 | Pa×s | 649.37 | Joback Calculated Property |
| η | 0.0000470 | Pa×s | 693.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-(4-chloro-2-methylphenoxy)-.
Sources
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