Chemical Properties of 2,4-Ditert-butylphenyl 2,2-dichloropropanoate (CAS 116402-58-5)

2,4-Ditert-butylphenyl 2,2-dichloropropanoate

InChI
InChI=1S/C17H24Cl2O2/c1-15(2,3)11-8-9-13(12(10-11)16(4,5)6)21-14(20)17(7,18)19/h8-10H,1-7H3
InChI Key
FMBVLXLQSTUNDN-UHFFFAOYSA-N
Formula
C17H24Cl2O2
SMILES
CC(Cl)(Cl)C(=O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C
Molecular Weight1
331.28
CAS
116402-58-5
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Physical Properties

Property Value Unit Source
ΔfH°gas -545.74 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 21.99 kJ/mol Joback Calculated Property
ΔvapH° 81.49 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.381 Crippen Calculated Property
McVol 258.550 ml/mol McGowan Calculated Property
Tboil 567.06 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [718.47; 799.58] J/mol×K [766.46; 997.70] Show Hide
Cp,gas 718.47 J/mol×K 766.46 Joback Calculated Property
Cp,gas 734.66 J/mol×K 805.00 Joback Calculated Property
Cp,gas 749.63 J/mol×K 843.54 Joback Calculated Property
Cp,gas 763.49 J/mol×K 882.08 Joback Calculated Property
Cp,gas 776.36 J/mol×K 920.62 Joback Calculated Property
Cp,gas 788.35 J/mol×K 959.16 Joback Calculated Property
Cp,gas 799.58 J/mol×K 997.70 Joback Calculated Property
η [0.0000467; 0.0006699] Pa×s [472.07; 766.46] Show Hide
η 0.0006699 Pa×s 472.07 Joback Calculated Property
η 0.0003487 Pa×s 521.13 Joback Calculated Property
η 0.0002030 Pa×s 570.20 Joback Calculated Property
η 0.0001288 Pa×s 619.27 Joback Calculated Property
η 0.0000874 Pa×s 668.33 Joback Calculated Property
η 0.0000625 Pa×s 717.39 Joback Calculated Property
η 0.0000467 Pa×s 766.46 Joback Calculated Property

Similar Compounds

2,4-Di-tert-butyl-6-chlorophenyl-2,2-dichloropropionate. 4-Tert-butylphenyl 2,2-dichloropropanoate. Isothymol isobutyrate. 2,4-Ditert-butyl-6-chlorophenyl trichloroacetate. 6-Chloro-2,4-di-tert-butylphenyl propionate. 2,4-Ditert-butyl-6-chlorophenyl chloroacetate. tert-Butylhydroquinone, diacetate. 3,3',5,5'-Tetratert-butyl-2'-(propionyloxy)[1,1'-biphenyl]-2-yl propionate. Glutaric acid, di(2-tert-butyl-6-methylphenyl) ester. 2,4-Ditert-butyl-6-chlorophenyl phenylacetate. 2-tert-Butyl-4-methylphenol, pentafluorobenzoyl ester. 2-tert-Butylphenol, pentafluorobenzoyl ester. Glutaric acid, 3-chlorophenyl 2-isopropylphenyl ester. Thymyl isobutyrate. Glutaric acid, di(2-isopropylphenyl) ester.

Find more compounds similar to 2,4-Ditert-butylphenyl 2,2-dichloropropanoate.

Sources

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