Chemical Properties of 4-Bromobenzoic acid, tridec-2-ynyl ester

4-Bromobenzoic acid, tridec-2-ynyl ester

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InChI
InChI=1S/C20H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-23-20(22)18-13-15-19(21)16-14-18/h13-16H,2-10,17H2,1H3
InChI Key
PHBTXXYCGWEFDW-UHFFFAOYSA-N
Formula
C20H27BrO2
SMILES
CCCCCCCCCCC#CCOC(=O)c1ccc(Br)cc1
Molecular Weight1
379.33
Sources

Physical Properties

Property Value Unit Source
Δf 203.50 kJ/mol Joback Calculated Property
Δfgas -177.24 kJ/mol Joback Calculated Property
Δfus 52.40 kJ/mol Joback Calculated Property
Δvap 80.79 kJ/mol Joback Calculated Property
logPoct/wat 6.140 Crippen Calculated Property
Pc 1541.49 kPa Joback Calculated Property
Tboil 840.11 K Joback Calculated Property
Tc 1056.05 K Joback Calculated Property
Tfus 592.16 K Joback Calculated Property
Vc 1.095 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 821.60 J/mol×K 840.11 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
#C- 2
=C< (ring) 2
-CH2- 10
-CH3 1
-Br 1

Similar Compounds

P-toluic acid, tridec-2-ynyl ester. 3-Bromobenzoic acid, tridec-2-ynyl ester. 4-Bromobenzoic acid, but-3-yn-2-yl ester. 4-Bromobenzoic acid, hex-4-yn-3-yl ester. 4-Ethylbenzoic acid, tridec-2-ynyl ester. 4-Chlorobenzoic acid, tridec-2-ynyl ester. 2-Bromobenzoic acid, tridec-2-ynyl ester. Benzoic acid, 4-bromo-, ethyl ester. 4-Fluorobenzoic acid, tridec-2-ynyl ester. m-Toluic acid, tridec-2-ynyl ester. 4-Cyanobenzoic acid, tridec-2-ynyl ester. 4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Butylbenzoic acid, tridec-2-ynyl ester. 4-(Trifluoromethyl)benzoic acid, tridec-2-ynyl ester. p-Anisic acid, tridec-2-ynyl ester.

Find more compounds similar to 4-Bromobenzoic acid, tridec-2-ynyl ester.

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