Chemical Properties of Benzoic acid, 2-methoxy-, 3-methylbutyl ester (CAS 959097-87-1)

Benzoic acid, 2-methoxy-, 3-methylbutyl ester

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InChI
InChI=1S/C13H18O3/c1-10(2)8-9-16-13(14)11-6-4-5-7-12(11)15-3/h4-7,10H,8-9H2,1-3H3
InChI Key
ZSQXARQEFCHHOX-UHFFFAOYSA-N
Formula
C13H18O3
SMILES
COc1ccccc1C(=O)OCCC(C)C
Molecular Weight1
222.28
CAS
959097-87-1
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Physical Properties

Property Value Unit Source
Δf -180.00 kJ/mol Joback Calculated Property
Δfgas -468.89 kJ/mol Joback Calculated Property
Δfus 23.53 kJ/mol Joback Calculated Property
Δvap 58.65 kJ/mol Joback Calculated Property
log10WS -3.27 Crippen Calculated Property
logPoct/wat 2.898 Crippen Calculated Property
McVol 183.580 ml/mol McGowan Calculated Property
Pc 2239.76 kPa Joback Calculated Property
Inp 1669.00 NIST
Tboil 626.77 K Joback Calculated Property
Tc 832.59 K Joback Calculated Property
Tfus 354.60 K Joback Calculated Property
Vc 0.692 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [469.86; 550.88] J/mol×K [626.77; 832.59] Show Hide
Cp,gas 469.86 J/mol×K 626.77 Joback Calculated Property
Cp,gas 485.46 J/mol×K 661.07 Joback Calculated Property
Cp,gas 500.22 J/mol×K 695.38 Joback Calculated Property
Cp,gas 514.14 J/mol×K 729.68 Joback Calculated Property
Cp,gas 527.21 J/mol×K 763.98 Joback Calculated Property
Cp,gas 539.46 J/mol×K 798.29 Joback Calculated Property
Cp,gas 550.88 J/mol×K 832.59 Joback Calculated Property
η [0.0001222; 0.0014954] Pa×s [354.60; 626.77] Show Hide
η 0.0014954 Pa×s 354.60 Joback Calculated Property
η 0.0007775 Pa×s 399.96 Joback Calculated Property
η 0.0004619 Pa×s 445.32 Joback Calculated Property
η 0.0003021 Pa×s 490.69 Joback Calculated Property
η 0.0002123 Pa×s 536.05 Joback Calculated Property
η 0.0001577 Pa×s 581.41 Joback Calculated Property
η 0.0001222 Pa×s 626.77 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-methoxy-, butyl ester. Benzoic acid, 2-methoxy-, 2-methylbutyl ester. Benzoic acid, 2-methoxy-, pentyl ester. Benzoic acid, 2-methoxy-, hexyl ester. o-Methoxybenzoic acid, tridecyl ester. o-Anisic acid, nonyl ester. o-Methoxybenzoic acid, decyl ester. o-Anisic acid, undecyl ester. o-Anisic acid, heptadecyl ester. o-Methoxybenzoic acid, octadecyl ester. o-Methoxybenzoic acid, pentadecyl ester. o-Methoxybenzoic acid, heptyl ester. o-Methoxybenzoic acid, hexadecyl ester. o-Methoxybenzoic acid, octyl ester. o-Methoxybenzoic acid, tetradecyl ester.

Find more compounds similar to Benzoic acid, 2-methoxy-, 3-methylbutyl ester.

Sources

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