Chemical Properties of 4-Tert-butylphenyl 2,2-dichloropropanoate

4-Tert-butylphenyl 2,2-dichloropropanoate

InChI
InChI=1S/C13H16Cl2O2/c1-12(2,3)9-5-7-10(8-6-9)17-11(16)13(4,14)15/h5-8H,1-4H3
InChI Key
MJPDDYAFCYSHHG-UHFFFAOYSA-N
Formula
C13H16Cl2O2
SMILES
CC(Cl)(Cl)C(=O)Oc1ccc(C(C)(C)C)cc1
Molecular Weight1
275.17
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Physical Properties

Property Value Unit Source
ΔfH°gas -452.50 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 21.01 kJ/mol Joback Calculated Property
ΔvapH° 73.13 kJ/mol Relay (1.0) Calculated Property
IE 8.53 eV Relay (1.0) Calculated Property
log10WS -5.41 Relay (1.0) Calculated Property
logPoct/wat 4.083 Crippen Calculated Property
McVol 202.190 ml/mol McGowan Calculated Property
Pc 2102.27 kPa Joback Calculated Property
Tboil 549.06 K Relay (1.0) Calculated Property
Tc 791.35 K Relay (1.0) Calculated Property
Tfus 325.48 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 [500.23; 573.07] J/mol×K [655.32; 888.97] Show Hide
Cp,gas 500.23 J/mol×K 655.32 Joback Calculated Property
Cp,gas 515.25 J/mol×K 694.26 Joback Calculated Property
Cp,gas 529.01 J/mol×K 733.20 Joback Calculated Property
Cp,gas 541.57 J/mol×K 772.14 Joback Calculated Property
Cp,gas 553.05 J/mol×K 811.09 Joback Calculated Property
Cp,gas 563.52 J/mol×K 850.03 Joback Calculated Property
Cp,gas 573.07 J/mol×K 888.97 Joback Calculated Property
η [0.0000953; 0.0018700] Pa×s [382.22; 655.32] Show Hide
η 0.0018700 Pa×s 382.22 Joback Calculated Property
η 0.0008745 Pa×s 427.74 Joback Calculated Property
η 0.0004733 Pa×s 473.25 Joback Calculated Property
η 0.0002853 Pa×s 518.77 Joback Calculated Property
η 0.0001866 Pa×s 564.29 Joback Calculated Property
η 0.0001301 Pa×s 609.80 Joback Calculated Property
η 0.0000953 Pa×s 655.32 Joback Calculated Property

Similar Compounds

2,4-Ditert-butylphenyl 2,2-dichloropropanoate. (4-Tert-butylphenoxy)acetic acid. Benzene, 1-(1,1-dimethylethyl)-4-methoxy-. 4-Tert-butylphenyl propargyl ether. Benzene, 1-(1,1-dimethylethyl)-4-ethoxy-. 4-(1,1-Dimethylpropyl)phenyl acetate. Ethanol, 2-[4-(1,1-dimethylethyl)phenoxy]-. Phenol, 4-(1-methylethyl)-, acetate. Succinic acid, phenyl 4-isopropylphenyl ester. 4-tert-Butylcatechol, bis(trifluoroacetate). Succinic acid, 4-cyanophenyl 4-isopropylphenyl ester. 4-TERT-BUTYL-O-PHENYLENE DIACETATE. 4-tert-Butylcatechol, bis(pentafluoropropionate). Pyrocatechol, 4-tert.-butyl, TFA-PFP. 4-tert-Butylphenol, isoBOC.

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

Sources

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