Chemical Properties of Benzoic acid, 3-chloro, 3-methylbutyl ester

Benzoic acid, 3-chloro, 3-methylbutyl ester

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InChI
InChI=1S/C12H15ClO2/c1-9(2)6-7-15-12(14)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3
InChI Key
OAGLWNCLEPDCLB-UHFFFAOYSA-N
Formula
C12H15ClO2
SMILES
CC(C)CCOC(=O)c1cccc(Cl)c1
Molecular Weight1
226.70
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Physical Properties

Property Value Unit Source
Δf -95.35 kJ/mol Joback Calculated Property
Δfgas -331.77 kJ/mol Joback Calculated Property
Δfus 23.95 kJ/mol Joback Calculated Property
Δvap 58.40 kJ/mol Joback Calculated Property
log10WS -3.83 Crippen Calculated Property
logPoct/wat 3.543 Crippen Calculated Property
McVol 175.860 ml/mol McGowan Calculated Property
Pc 2410.00 kPa Joback Calculated Property
Inp [1569.00; 1589.00]   Show Hide
Inp 1570.00 NIST
Inp 1579.00 NIST
Inp 1589.00 NIST
Inp 1586.00 NIST
Inp 1569.00 NIST
Inp 1579.00 NIST
Inp 1586.00 NIST
I [2084.00; 2125.00]   Show Hide
I 2084.00 NIST
I 2102.00 NIST
I 2123.00 NIST
I 2125.00 NIST
I 2092.00 NIST
I 2117.00 NIST
I 2084.00 NIST
I 2125.00 NIST
Tboil 618.90 K Joback Calculated Property
Tc 834.03 K Joback Calculated Property
Tfus 351.02 K Joback Calculated Property
Vc 0.666 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [421.78; 495.33] J/mol×K [618.90; 834.03] Show Hide
Cp,gas 421.78 J/mol×K 618.90 Joback Calculated Property
Cp,gas 436.13 J/mol×K 654.76 Joback Calculated Property
Cp,gas 449.61 J/mol×K 690.61 Joback Calculated Property
Cp,gas 462.25 J/mol×K 726.47 Joback Calculated Property
Cp,gas 474.07 J/mol×K 762.32 Joback Calculated Property
Cp,gas 485.09 J/mol×K 798.18 Joback Calculated Property
Cp,gas 495.33 J/mol×K 834.03 Joback Calculated Property
η [0.0001617; 0.0019039] Pa×s [351.02; 618.90] Show Hide
η 0.0019039 Pa×s 351.02 Joback Calculated Property
η 0.0010010 Pa×s 395.67 Joback Calculated Property
η 0.0005996 Pa×s 440.31 Joback Calculated Property
η 0.0003947 Pa×s 484.96 Joback Calculated Property
η 0.0002788 Pa×s 529.61 Joback Calculated Property
η 0.0002079 Pa×s 574.25 Joback Calculated Property
η 0.0001617 Pa×s 618.90 Joback Calculated Property

Similar Compounds

Butyl 3-chlorobenzoate. 2-Chlorobenzoic acid, 3-methylbutyl ester. 4-Chlorobenzoic acid, 3-methylbutyl ester. Pentyl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-methylbutyl ester. Hexyl 3-chlorobenzoate. Heptyl 3-chlorobenzoate. Dodecyl 3-chlorobenzoate. Tetradecyl 3-chlorobenzoate. Octyl 3-chlorobenzoate. Nonyl 3-chlorobenzoate. Benzoic acid, 3-chloro, undecyl ester. Decyl 3-chlorobenzoate. 1,5-Pentanediol, O,O'-bis(3-chlorobenzoyl)-. 1-Butanol, 3-methyl-, benzoate.

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

Sources

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