Chemical Properties of 5-Bromovaleric acid, tridec-2-ynyl ester

5-Bromovaleric acid, tridec-2-ynyl ester

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InChI
InChI=1S/C18H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21-18(20)15-12-13-16-19/h2-10,12-13,15-17H2,1H3
InChI Key
JUXZXAPWMXWRKX-UHFFFAOYSA-N
Formula
C18H31BrO2
SMILES
CCCCCCCCCCC#CCOC(=O)CCCCBr
Molecular Weight1
359.34
Sources

Physical Properties

Property Value Unit Source
Δf 83.88 kJ/mol Joback Calculated Property
Δfgas -361.02 kJ/mol Joback Calculated Property
Δfus 53.57 kJ/mol Joback Calculated Property
Δvap 73.41 kJ/mol Joback Calculated Property
logPoct/wat 5.63 Crippen Calculated Property
Pc 1401.69 kPa Joback Calculated Property
Tboil 762.69 K Joback Calculated Property
Tc 954.00 K Joback Calculated Property
Tfus 530.68 K Joback Calculated Property
Vc 1.09 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 796.87 J/mol×K 762.69 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
#C- 2
-CH2- 14
-CH3 1
-Br 1

Similar Compounds

Valeric acid, tridec-2-ynyl ester. 6-Bromohexanoic acid, tridec-2-ynyl ester. Hexanoic acid, tridec-2-ynyl ester. Octanoic acid, tridec-2-ynyl ester. Glutaric acid, di(tridec-2-ynyl) ester. Glutaric acid, ethyl tridec-2-ynyl ester. Undec-10-ynoic acid, tridec-2-yn-1-yl ester. Sebacic acid, ethyl tridec-2-ynyl ester. 5-Chlorovaleric acid, tridec-2-ynyl ester. Butanoic acid, tridec-2-ynyl ester. Sebacic acid, propyl tridec-2-ynyl ester. Glutaric acid, propyl tridec-2-ynyl ester. 4-Bromobutanoic acid, tridec-2-ynyl ester. Glutaric acid, butyl tridec-2-ynyl ester. Sebacic acid, butyl tridec-2-ynyl ester.

Find more compounds similar to 5-Bromovaleric acid, tridec-2-ynyl ester.

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