Chemical Properties of 4-Butylbenzoic acid (CAS 20651-71-2)

4-Butylbenzoic acid

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InChI
InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
InChI Key
JFKUBRAOUZEZSL-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CCCCc1ccc(C(=O)O)cc1
Molecular Weight1
178.23
CAS
20651-71-2
Other Names
  • Benzoic acid, 4-butyl-
  • p-n-Butylbenzoic acid
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Physical Properties

Property Value Unit Source
Δf -121.22 kJ/mol Joback Calculated Property
Δfgas -310.12 kJ/mol Joback Calculated Property
Δfus 0.76 kJ/mol Thermod...
Δsub 110.50 ± 0.70 kJ/mol NIST
Δvap 66.44 kJ/mol Joback Calculated Property
log10WS -3.17 Crippen Calculated Property
logPoct/wat 2.727 Crippen Calculated Property
McVol 149.530 ml/mol McGowan Calculated Property
Pc 3076.16 kPa Joback Calculated Property
Tboil 628.79 K Joback Calculated Property
Tc 827.28 K Joback Calculated Property
Tfus 377.00 ± 1.00 K NIST
Vc 0.569 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [374.63; 435.88] J/mol×K [628.79; 827.28] Show Hide
Cp,gas 374.63 J/mol×K 628.79 Joback Calculated Property
Cp,gas 386.44 J/mol×K 661.87 Joback Calculated Property
Cp,gas 397.58 J/mol×K 694.95 Joback Calculated Property
Cp,gas 408.07 J/mol×K 728.04 Joback Calculated Property
Cp,gas 417.93 J/mol×K 761.12 Joback Calculated Property
Cp,gas 427.19 J/mol×K 794.20 Joback Calculated Property
Cp,gas 435.88 J/mol×K 827.28 Joback Calculated Property
η [0.0000758; 0.0034768] Pa×s [363.42; 628.79] Show Hide
η 0.0034768 Pa×s 363.42 Joback Calculated Property
η 0.0013004 Pa×s 407.65 Joback Calculated Property
η 0.0005896 Pa×s 451.88 Joback Calculated Property
η 0.0003078 Pa×s 496.11 Joback Calculated Property
η 0.0001788 Pa×s 540.33 Joback Calculated Property
η 0.0001127 Pa×s 584.56 Joback Calculated Property
η 0.0000758 Pa×s 628.79 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [411.80; 621.71] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.30427e+01
Coefficient B-4.12031e+03
Coefficient C-8.87680e+01
Temperature range, min.411.80
Temperature range, max.621.71
Pvap 1.33 kPa 411.80 Calculated Property
Pvap 3.15 kPa 435.12 Calculated Property
Pvap 6.67 kPa 458.45 Calculated Property
Pvap 12.92 kPa 481.77 Calculated Property
Pvap 23.24 kPa 505.09 Calculated Property
Pvap 39.29 kPa 528.42 Calculated Property
Pvap 62.99 kPa 551.74 Calculated Property
Pvap 96.53 kPa 575.06 Calculated Property
Pvap 142.26 kPa 598.39 Calculated Property
Pvap 202.64 kPa 621.71 Calculated Property

Similar Compounds

Benzoic acid, 4-pentyl-. 4-Heptylbenzoic acid. Benzoic acid, 4-butyl-, methyl ester. 4-n-Propylbenzoic acid. 4-Butylbenzoic acid, ethyl ester. p-n-Butylacetophenone. Benzoyl chloride, 4-butyl-. Benzaldehyde, 4-pentyl-. 4-Butylbenzoic acid, 2,2,2-trichloroethyl ester. Benzene, 1,4-dibutyl. Benzene, 1-butyl-4-propyl. Benzene, 1-butyl-4-ethyl. p-Pentylacetophenone. Benzene, 1-methyl-4-butyl. 4-Butylbenzoic acid, but-3-yn-2-yl ester.

Find more compounds similar to 4-Butylbenzoic acid.

Sources

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