Chemical Properties of 4-Chlorobenzoic acid, 2-butyl ester (CAS 97989-37-2)

4-Chlorobenzoic acid, 2-butyl ester

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InChI
InChI=1S/C11H13ClO2/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3
InChI Key
XQYCLIPXEPYRON-UHFFFAOYSA-N
Formula
C11H13ClO2
SMILES
CCC(C)OC(=O)c1ccc(Cl)cc1
Molecular Weight1
212.67
CAS
97989-37-2
Other Names
  • Benzoic acid, 4-chloro, 1-methylpropyl ester
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Physical Properties

Property Value Unit Source
Δf -103.77 kJ/mol Joback Calculated Property
Δfgas -311.13 kJ/mol Joback Calculated Property
Δfus 21.36 kJ/mol Joback Calculated Property
Δvap 56.17 kJ/mol Joback Calculated Property
log10WS -3.77 Crippen Calculated Property
logPoct/wat 3.295 Crippen Calculated Property
McVol 161.770 ml/mol McGowan Calculated Property
Pc 2654.29 kPa Joback Calculated Property
Inp [1441.00; 1465.00]   Show Hide
Inp 1446.00 NIST
Inp 1456.00 NIST
Inp 1465.00 NIST
Inp 1460.00 NIST
Inp 1441.00 NIST
Inp 1451.00 NIST
Inp 1446.00 NIST
I [1935.00; 1975.00]   Show Hide
I 1939.00 NIST
I 1958.00 NIST
I 1975.00 NIST
I 1969.00 NIST
I 1935.00 NIST
I 1957.00 NIST
I 1969.00 NIST
Tboil 596.02 K Joback Calculated Property
Tc 814.94 K Joback Calculated Property
Tfus 339.75 K Joback Calculated Property
Vc 0.611 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [373.26; 443.15] J/mol×K [596.02; 814.94] Show Hide
Cp,gas 373.26 J/mol×K 596.02 Joback Calculated Property
Cp,gas 386.90 J/mol×K 632.51 Joback Calculated Property
Cp,gas 399.73 J/mol×K 668.99 Joback Calculated Property
Cp,gas 411.74 J/mol×K 705.48 Joback Calculated Property
Cp,gas 422.97 J/mol×K 741.97 Joback Calculated Property
Cp,gas 433.43 J/mol×K 778.45 Joback Calculated Property
Cp,gas 443.15 J/mol×K 814.94 Joback Calculated Property
η [0.0001789; 0.0019955] Pa×s [339.75; 596.02] Show Hide
η 0.0019955 Pa×s 339.75 Joback Calculated Property
η 0.0010666 Pa×s 382.46 Joback Calculated Property
η 0.0006465 Pa×s 425.17 Joback Calculated Property
η 0.0004294 Pa×s 467.88 Joback Calculated Property
η 0.0003054 Pa×s 510.60 Joback Calculated Property
η 0.0002290 Pa×s 553.31 Joback Calculated Property
η 0.0001789 Pa×s 596.02 Joback Calculated Property

Similar Compounds

sec-Butyl 3-chlorobenzoate. Benzoic acid, 1-methylpropyl ester. 4-Chlorobenzoic acid, 2-pentyl ester. Benzoic acid, 4-chloro, 1,2-dimethylpropyl ester. 2-Chlorobenzoic acid, 2-butyl ester. Benzoic acid, 4-chloro, 1-methyl-3-butenyl ester. Benzoic acid, 4-(methylthio)-, 1-methylpropyl ester. Benzoic acid, 4-chloro-, butyl ester. sec-Butyl 4-hydroxybenzoate. Benzoic acid, 4-hydroxy-, 1-methylpropyl ester. 4-Chlorobenzoic acid, hex-4-yn-3-yl ester. Benzoic acid, 4-methoxy-, 1-methylpropyl ester. 4-Chlorobenzoic acid, propyl ester. Pentan-2-yl 3-chlorobenzoate. 3-Methylbutan-2-yl 3-chlorobenzoate.

Find more compounds similar to 4-Chlorobenzoic acid, 2-butyl ester.

Sources

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