Chemical Properties of 3-Bromobenzoic acid, pent-2-en-4-ynyl ester

3-Bromobenzoic acid, pent-2-en-4-ynyl ester

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InChI
InChI=1S/C12H9BrO2/c1-2-3-4-8-15-12(14)10-6-5-7-11(13)9-10/h1,3-7,9H,8H2
InChI Key
XTOLJXDNCUFMHF-UHFFFAOYSA-N
Formula
C12H9BrO2
SMILES
C#CC=CCOC(=O)c1cccc(Br)c1
Molecular Weight1
265.10
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Physical Properties

Property Value Unit Source
Δf 236.63 kJ/mol Joback Calculated Property
Δfgas 124.70 kJ/mol Joback Calculated Property
Δfus 31.74 kJ/mol Joback Calculated Property
Δvap 60.65 kJ/mol Joback Calculated Property
log10WS -4.20 Crippen Calculated Property
logPoct/wat 2.795 Crippen Calculated Property
McVol 168.220 ml/mol McGowan Calculated Property
Pc 3306.75 kPa Joback Calculated Property
Inp [1735.00; 1735.00]   Show Hide
Inp 1735.00 NIST
Inp 1735.00 NIST
Tboil 642.35 K Joback Calculated Property
Tc 886.45 K Joback Calculated Property
Tfus 437.79 K Joback Calculated Property
Vc 0.627 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [368.33; 426.02] J/mol×K [642.35; 886.45] Show Hide
Cp,gas 368.33 J/mol×K 642.35 Joback Calculated Property
Cp,gas 379.95 J/mol×K 683.03 Joback Calculated Property
Cp,gas 390.68 J/mol×K 723.72 Joback Calculated Property
Cp,gas 400.58 J/mol×K 764.40 Joback Calculated Property
Cp,gas 409.73 J/mol×K 805.08 Joback Calculated Property
Cp,gas 418.19 J/mol×K 845.77 Joback Calculated Property
Cp,gas 426.02 J/mol×K 886.45 Joback Calculated Property

Similar Compounds

2-Bromobenzoic acid, pent-2-en-4-ynyl. 4-Bromobenzoic acid, pent-2-en-4-ynyl ester. 3-Bromobenzoic acid. 3-methylbut-2-enyl ester. 3-Bromobenzoic acid, 3-chloroprop-2-enyl ester. 4-Cyanobenzoic acid, pent-2-en-4-ynyl ester. 1-Naphthoic acid, pent-2-en-4-ynyl ester. 4-Chlorobenzoic acid, pent-2-en-4-ynyl ester. Benzoic acid, 3-bromo-, ethyl ester. 3-Bromobenzoic acid, undec-2-enyl ester. (E)-2-Butenyl benzoate. 3-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 4-(Trifluoromethyl)benzoic acid, pent-2-en-4-ynyl ester. 4-Fluorobenzoic acid, pent-2-en-4-ynyl ester. p-Anisic acid, pent-2-en-4-ynyl ester. m-Anisic acid, pent-2-en-4-ynyl ester.

Find more compounds similar to 3-Bromobenzoic acid, pent-2-en-4-ynyl ester.

Sources

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