Chemical Properties of Pentamethylbenzoic acid (CAS 2243-32-5)

Pentamethylbenzoic acid

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InChI
InChI=1S/C12H16O2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h1-5H3,(H,13,14)
InChI Key
MNLKGWIYXCKWBU-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
Cc1c(C)c(C)c(C(=O)O)c(C)c1C
Molecular Weight1
192.25
CAS
2243-32-5
Other Names
  • Benzoic acid, pentamethyl-
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Physical Properties

Property Value Unit Source
Δf -151.32 kJ/mol Joback Calculated Property
Δfgas -422.90 ± 2.90 kJ/mol NIST
Δfsolid -536.30 ± 2.30 kJ/mol NIST
Δfus 24.62 kJ/mol Joback Calculated Property
Δsub [113.40; 113.40] kJ/mol Show Hide
Δsub 113.40 ± 1.80 kJ/mol NIST
Δsub 113.40 kJ/mol NIST
Δsub 113.40 ± 1.80 kJ/mol NIST
Δvap 71.32 kJ/mol Joback Calculated Property
log10WS -3.91 Crippen Calculated Property
logPoct/wat 2.927 Crippen Calculated Property
McVol 163.620 ml/mol McGowan Calculated Property
Pc 2605.74 kPa Joback Calculated Property
Tboil 671.59 K Joback Calculated Property
Tc 871.10 K Joback Calculated Property
Tfus 424.77 K Joback Calculated Property
Vc 0.625 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [419.94; 482.57] J/mol×K [671.59; 871.10] Show Hide
Cp,gas 419.94 J/mol×K 671.59 Joback Calculated Property
Cp,gas 431.82 J/mol×K 704.84 Joback Calculated Property
Cp,gas 443.12 J/mol×K 738.09 Joback Calculated Property
Cp,gas 453.84 J/mol×K 771.35 Joback Calculated Property
Cp,gas 463.98 J/mol×K 804.60 Joback Calculated Property
Cp,gas 473.56 J/mol×K 837.85 Joback Calculated Property
Cp,gas 482.57 J/mol×K 871.10 Joback Calculated Property
Cp,solid 249.90 J/mol×K 298.15 NIST
η [0.0000593; 0.0009312] Pa×s [424.77; 671.59] Show Hide
η 0.0009312 Pa×s 424.77 Joback Calculated Property
η 0.0004805 Pa×s 465.91 Joback Calculated Property
η 0.0002760 Pa×s 507.04 Joback Calculated Property
η 0.0001723 Pa×s 548.18 Joback Calculated Property
η 0.0001149 Pa×s 589.32 Joback Calculated Property
η 0.0000808 Pa×s 630.45 Joback Calculated Property
η 0.0000593 Pa×s 671.59 Joback Calculated Property
ΔsubH 111.50 ± 1.70 kJ/mol 355.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [368.97; 667.28] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.00164e+01
Coefficient B-2.71791e+03
Coefficient C-8.96020e+01
Temperature range, min.368.97
Temperature range, max.667.28
Pvap 1.33 kPa 368.97 Calculated Property
Pvap 3.74 kPa 402.12 Calculated Property
Pvap 8.61 kPa 435.26 Calculated Property
Pvap 17.14 kPa 468.41 Calculated Property
Pvap 30.53 kPa 501.55 Calculated Property
Pvap 49.90 kPa 534.70 Calculated Property
Pvap 76.19 kPa 567.84 Calculated Property
Pvap 110.13 kPa 600.99 Calculated Property
Pvap 152.19 kPa 634.13 Calculated Property
Pvap 202.66 kPa 667.28 Calculated Property

Similar Compounds

2,3,5,6-Tetramethylbenzoic acid. 2,3,4,5-Tetramethylbenzoic acid. Benzoic acid, 2,4,5-trimethyl-. Benzoic acid, 2,4,6-trimethyl-. 2,3,6-Trimethylbenzoic acid. 2,3,5,6-(CH3)4-C6H-COOCH3. Benzoic acid, 2,3-dimethyl-. Benzoic acid, 2,6-dimethyl-. Benzoic acid, 2,5-dimethyl-. Pentamethylbenzaldehyde. Benzenehexacarboxylic acid. Benzoic acid, 2,4-dimethyl-. Benzoic acid, 2,4,6-trimethyl-, methyl ester. Benzene, methoxymethyl-pentamethyl-. Benzoic acid, 3,4-dimethyl-.

Find more compounds similar to Pentamethylbenzoic acid.

Sources

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