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

4-Nitrobenzoic acid, tridec-2-ynyl ester

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InChI
InChI=1S/C20H27NO4/c1-2-3-4-5-6-7-8-9-10-11-12-17-25-20(22)18-13-15-19(16-14-18)21(23)24/h13-16H,2-10,17H2,1H3
InChI Key
PQFGHRHZXSJQKZ-UHFFFAOYSA-N
Formula
C20H27NO4
SMILES
CCCCCCCCCCC#CCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
345.43
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Physical Properties

Property Value Unit Source
Δf 224.73 kJ/mol Joback Calculated Property
Δfgas -214.33 kJ/mol Joback Calculated Property
Δfus 58.48 kJ/mol Joback Calculated Property
Δvap 90.95 kJ/mol Joback Calculated Property
log10WS -7.18 Crippen Calculated Property
logPoct/wat 5.286 Crippen Calculated Property
McVol 285.160 ml/mol McGowan Calculated Property
Pc 1474.75 kPa Joback Calculated Property
Inp [2577.00; 2577.00]   Show Hide
Inp 2577.00 NIST
Inp 2577.00 NIST
Tboil 925.79 K Joback Calculated Property
Tc 1152.25 K Joback Calculated Property
Tfus 675.97 K Joback Calculated Property
Vc 1.115 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [894.65; 965.47] J/mol×K [925.79; 1152.25] Show Hide
Cp,gas 894.65 J/mol×K 925.79 Joback Calculated Property
Cp,gas 909.24 J/mol×K 963.53 Joback Calculated Property
Cp,gas 922.64 J/mol×K 1001.28 Joback Calculated Property
Cp,gas 934.92 J/mol×K 1039.02 Joback Calculated Property
Cp,gas 946.11 J/mol×K 1076.76 Joback Calculated Property
Cp,gas 956.28 J/mol×K 1114.50 Joback Calculated Property
Cp,gas 965.47 J/mol×K 1152.25 Joback Calculated Property

Similar Compounds

4-(Trifluoromethyl)benzoic acid, tridec-2-ynyl ester. 4-Fluorobenzoic acid, tridec-2-ynyl ester. 4-Bromobenzoic acid, tridec-2-ynyl ester. p-Toluic acid, tridec-2-ynyl ester. 4-Cyanobenzoic acid, tridec-2-ynyl ester. 4-Chlorobenzoic acid, tridec-2-ynyl ester. 1-Naphthoic acid, tridec-2-ynyl ester. 3-Bromobenzoic acid, tridec-2-ynyl ester. 3-Fluorobenzoic acid, tridec-2-ynyl ester. Benzoic acid, 4-nitro-, octyl ester. 4-Nitrobenzoic acid, dodecyl ester. 4-Nitrobenzoic acid, decyl ester. 4-Nitrobenzoic acid, nonyl ester. 4-Nitrobenzoic acid, heptyl ester. 4-Nitrobenzoic acid, undecyl ester.

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

Sources

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