Chemical Properties of Butanoic acid, 4-(4-chloro-2-methylphenoxy)- (CAS 94-81-5)

Butanoic acid, 4-(4-chloro-2-methylphenoxy)-

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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
  • (2-Methyl-4-Chlorophenoxy)butyric acid
  • (4-Chloro-2-methylphenoxy)butyric acid
  • 2,4-MCPB
  • 2M 4KhM
  • 2M-4XM
  • 4-(2-Methyl-4-Chlorophenoxy)butyric acid
  • 4-(2-Methyl-4-chlorphenoxy)-buttersaeure
  • 4-(4-Chlor-2-methyl-phenoxy)-buttersaeure
  • 4-(4-Chloro-2-methylphenoxy)butanoic acid
  • 4-(4-Chloro-2-methylphenoxy)butyric acid
  • 4-(4-Chloro-o-tolyloxy)butyric acid
  • 4MCPB
  • Belmac straight
  • Bexane
  • Bexone
  • Butyric acid, 4-[(4-chloro-o-tolyl)oxy]-
  • Fisons 18-15, MCPB
  • Kyselina 4-(4-chlor-2-methylfenoxy)maselna
  • Legumex
  • MB 3046
  • MCP-Butyric
  • MCPB
  • NSC 102796
  • PDQ
  • Thitrol
  • Trifolex
  • Tritrol
  • Trotox
  • U46 MCPB
  • [(4-Chloro-o-tolyl)oxy]butyric acid
  • «gamma»-(2-Methyl-4-chlorophenoxy)butyric acid
  • «gamma»-(4-Chloro-2-methylphenoxy)butyric acid
  • «gamma»-MCPB
Sources

Physical Properties

Property Value Unit Source
Δf -247.78 kJ/mol Joback Calculated Property
Δfgas -469.55 kJ/mol Joback Calculated Property
Δfus 28.58 kJ/mol Joback Calculated Property
Δvap 73.90 kJ/mol Joback Calculated Property
logPoct/wat 2.89 Crippen Calculated Property
Pc 2853.57 kPa Joback Calculated Property
Tboil 693.62 K Joback Calculated Property
Tc 895.15 K Joback Calculated Property
Tfus 428.09 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 421.70 J/mol×K 693.62 Joback Calculated Property
η 0.00 Pa×s 693.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 3
-OH (alcohol) 1
=C< (ring) 3
-CH2- 3
-Cl 1
>C=O (nonring) 1

Similar Compounds

Mcpb methyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, tetradecyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, nonyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, octadecyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, pentadecyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, hexadecyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, heptyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, heptadecyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, dodecyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, decyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, octyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, tridecyl ester. 4-(4-Chloro-2-methylphenoxy)butyric acid, undecyl ester. Glutaric acid, di(2-methyl-4-chlorophenyl) ester. Sebacic acid, di(4-chloro-2-methylphenyl) ester.

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