Chemical Properties of Benzoic acid 1,1-dimethylethyl ester (CAS 774-65-2)

Benzoic acid 1,1-dimethylethyl ester

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InChI
InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key
LYDRKKWPKKEMNZ-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CC(C)(C)OC(=O)c1ccccc1
Molecular Weight1
178.23
CAS
774-65-2
Other Names
  • tert-Butyl benzoate
  • Benzoic acid tert-butyl ester
  • Trimethylcarbinol benzoate
  • 1,1-dimethylethyl benzoate
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Physical Properties

Property Value Unit Source
Δf -76.93 kJ/mol Joback Calculated Property
Δfgas -287.39 kJ/mol Joback Calculated Property
Δfus 13.66 kJ/mol Joback Calculated Property
Δvap 50.22 kJ/mol Joback Calculated Property
log10WS -3.08 Crippen Calculated Property
logPoct/wat 2.642 Crippen Calculated Property
McVol 149.530 ml/mol McGowan Calculated Property
Pc 2835.36 kPa Joback Calculated Property
Tboil 550.82 K Joback Calculated Property
Tc 773.39 K Joback Calculated Property
Tfus 314.73 K Joback Calculated Property
Vc 0.556 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [349.74; 427.65] J/mol×K [550.82; 773.39] Show Hide
Cp,gas 349.74 J/mol×K 550.82 Joback Calculated Property
Cp,gas 365.17 J/mol×K 587.91 Joback Calculated Property
Cp,gas 379.55 J/mol×K 625.01 Joback Calculated Property
Cp,gas 392.95 J/mol×K 662.10 Joback Calculated Property
Cp,gas 405.40 J/mol×K 699.20 Joback Calculated Property
Cp,gas 416.95 J/mol×K 736.29 Joback Calculated Property
Cp,gas 427.65 J/mol×K 773.39 Joback Calculated Property
η [0.0001854; 0.0027809] Pa×s [314.73; 550.82] Show Hide
η 0.0027809 Pa×s 314.73 Joback Calculated Property
η 0.0013780 Pa×s 354.08 Joback Calculated Property
η 0.0007858 Pa×s 393.43 Joback Calculated Property
η 0.0004963 Pa×s 432.77 Joback Calculated Property
η 0.0003384 Pa×s 472.12 Joback Calculated Property
η 0.0002448 Pa×s 511.47 Joback Calculated Property
η 0.0001854 Pa×s 550.82 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 369.00 K 0.30 NIST

Similar Compounds

Benzoic acid, 1-methylethyl ester. Benzoic acid, ethyl ester. Benzoic acid, 3-hydroxy-, tert.-butyl ester. Benzoic acid, 3-amino-, tert.-butyl ester. Benzoic acid, 4-chloro-, 1-methylethyl ester. 3-Chlorobenzoic acid, isopropyl ester. Salicylic acid, tert.-butyl ester. Benzoic acid, neopentyl ester. 1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester. n-Propyl benzoate. 2-Propyn-1-ol, benzoate. Benzoic acid 2-bromoethyl ester. Benzoic acid, 2-methylpropyl ester. Benzoic acid, 1-methylpropyl ester. 2-Chlorobenzoic acid, isopropyl ester.

Find more compounds similar to Benzoic acid 1,1-dimethylethyl ester.

Sources

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