Chemical Properties of Methyl 4-tert-butylbenzoate (CAS 26537-19-9)

Methyl 4-tert-butylbenzoate

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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
Molecular Weight1
192.25
CAS
26537-19-9
Other Names
  • 4-Tert-butylbenzoic acid methyl ester
  • Benzoic acid, 4-(1,1-dimethylethyl)-, methyl ester
  • Benzoic acid, p-tert-butyl-, methyl ester
  • methyl 4-(1,1-dimethylethyl)benzoate
  • methyl p-tert-butylbenzoate
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Physical Properties

Property Value Unit Source
PAff 867.10 kJ/mol NIST
BasG 836.20 kJ/mol NIST
Δf -78.14 kJ/mol Joback Calculated Property
Δfgas -319.50 kJ/mol Joback Calculated Property
Δfus 15.86 kJ/mol Joback Calculated Property
Δvap 53.10 kJ/mol Joback Calculated Property
IE 9.38 eV NIST
log10WS -3.03 Crippen Calculated Property
logPoct/wat 2.771 Crippen Calculated Property
McVol 163.620 ml/mol McGowan Calculated Property
Pc 2527.73 kPa Joback Calculated Property
Inp [1410.00; 1410.00]   Show Hide
Inp 1410.00 NIST
Inp 1410.00 NIST
Tboil 578.68 K Joback Calculated Property
Tc 798.32 K Joback Calculated Property
Tfus 338.52 K Joback Calculated Property
Vc 0.613 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [397.08; 477.58] J/mol×K [578.68; 798.32] Show Hide
Cp,gas 397.08 J/mol×K 578.68 Joback Calculated Property
Cp,gas 412.88 J/mol×K 615.29 Joback Calculated Property
Cp,gas 427.67 J/mol×K 651.89 Joback Calculated Property
Cp,gas 441.50 J/mol×K 688.50 Joback Calculated Property
Cp,gas 454.39 J/mol×K 725.10 Joback Calculated Property
Cp,gas 466.41 J/mol×K 761.71 Joback Calculated Property
Cp,gas 477.58 J/mol×K 798.32 Joback Calculated Property
η [0.0001630; 0.0019665] Pa×s [338.52; 578.68] Show Hide
η 0.0019665 Pa×s 338.52 Joback Calculated Property
η 0.0010426 Pa×s 378.55 Joback Calculated Property
η 0.0006241 Pa×s 418.57 Joback Calculated Property
η 0.0004086 Pa×s 458.60 Joback Calculated Property
η 0.0002864 Pa×s 498.63 Joback Calculated Property
η 0.0002116 Pa×s 538.65 Joback Calculated Property
η 0.0001630 Pa×s 578.68 Joback Calculated Property
Pvap [1.21; 34.66] kPa [398.30; 492.40] Show Hide
Pvap 1.21 kPa 398.30 Measure...
Pvap 1.89 kPa 408.40 Measure...
Pvap 2.13 kPa 411.30 Measure...
Pvap 3.19 kPa 421.30 Measure...
Pvap 4.51 kPa 430.40 Measure...
Pvap 5.32 kPa 434.90 Measure...
Pvap 6.53 kPa 440.60 Measure...
Pvap 7.93 kPa 446.10 Measure...
Pvap 8.53 kPa 448.20 Measure...
Pvap 9.87 kPa 452.40 Measure...
Pvap 10.53 kPa 454.30 Measure...
Pvap 11.60 kPa 457.20 Measure...
Pvap 12.61 kPa 459.70 Measure...
Pvap 13.87 kPa 462.60 Measure...
Pvap 14.67 kPa 464.30 Measure...
Pvap 15.67 kPa 466.30 Measure...
Pvap 16.13 kPa 467.20 Measure...
Pvap 18.00 kPa 470.70 Measure...
Pvap 19.73 kPa 473.60 Measure...
Pvap 20.67 kPa 475.10 Measure...
Pvap 22.53 kPa 477.90 Measure...
Pvap 24.13 kPa 480.10 Measure...
Pvap 25.87 kPa 482.40 Measure...
Pvap 26.53 kPa 483.30 Measure...
Pvap 27.88 kPa 484.90 Measure...
Pvap 29.13 kPa 486.40 Measure...
Pvap 30.40 kPa 487.90 Measure...
Pvap 31.86 kPa 489.50 Measure...
Pvap 32.93 kPa 490.60 Measure...
Pvap 34.66 kPa 492.40 Measure...

Similar Compounds

Ethyl 4-t-butylbenzoate. Benzoic acid, 4-(1-methylethyl)-, methyl ester. Benzoic acid, p-tert-butyl-. Benzoic acid, 4-tert-butyl-, propyl ester. 2-Methoxyethyl 4-tert-butyl benzoate. Benzoic acid, 4-tert-butyl-, isobutyl ester. Benzoic acid, 4-acetyl-, methyl ester. Benzoic acid, 4-tert-butyl-, butyl ester. Benzoic acid, 4-tert-butyl-, pentyl ester. Benzoic acid, 4-ethyl-, methyl ester. Benzoic acid, 4-tert-butyl-, hexyl ester. Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-. 1-Methyl-2-methoxyethyl 4-tert-butylbenzoate. Benzoic acid, 4-tert-butyl-, heptyl ester. Benzoic acid, 4-tert-butyl-, pentadecyl ester.

Find more compounds similar to Methyl 4-tert-butylbenzoate.

Mixtures

Sources

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