Mixture of Benzoic acid, p-tert-butyl- + Methyl 4-tert-butylbenzoate

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Benzoic acid, p-tert-butyl-

Name
Benzoic acid, p-tert-butyl-
InChI
InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChI Key
KDVYCTOWXSLNNI-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CC(C)(C)c1ccc(C(=O)O)cc1
Mol. Weight (g/mol)
178.23
CAS
98-73-7

Methyl 4-tert-butylbenzoate

Name
Methyl 4-tert-butylbenzoate
InChI
InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
InChI Key
UPIJOAFHOIWPLT-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
COC(=O)c1ccc(C(C)(C)C)cc1
Mol. Weight (g/mol)
192.25
CAS
26537-19-9
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Datasets

  1. Mole fraction (2)

Mole fraction of Benzoic acid, p-tert-butyl- (1) [ref]

Operational condition: Pressure, kPa = 94.9 (Liquid)

Temperature, K - Liquid Mole fraction of Benzoic acid, p-tert-butyl- (1) - Liquid
293.15 0.0560
298.15 0.0671
303.15 0.0791
308.15 0.0894
313.15 0.1021
318.15 0.1150
323.15 0.1282
328.15 0.1416
333.15 0.1542

Mole fraction of Benzoic acid, p-tert-butyl- (1) [ref]

Operational condition: Pressure, kPa = 94.9 (Liquid)

Temperature, K - Liquid Mole fraction of Benzoic acid, p-tert-butyl- (1) - Liquid
293.15 0.0560
298.15 0.0671
303.15 0.0791
308.15 0.0894
313.15 0.1021
318.15 0.1150
323.15 0.1282
328.15 0.1416
333.15 0.1542

Sources