Chemical Properties of 4-Nitrobenzoic acid, 2-methyloct-5-yn-4-yl ester

4-Nitrobenzoic acid, 2-methyloct-5-yn-4-yl ester

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InChI
InChI=1S/C16H19NO4/c1-4-5-6-15(11-12(2)3)21-16(18)13-7-9-14(10-8-13)17(19)20/h7-10,12,15H,4,11H2,1-3H3
InChI Key
SFNNMCIJIXGXOM-UHFFFAOYSA-N
Formula
C16H19NO4
SMILES
CCC#CC(CC(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
289.33
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Physical Properties

Property Value Unit Source
Δf 186.17 kJ/mol Joback Calculated Property
Δfgas -142.33 kJ/mol Joback Calculated Property
Δfus 41.07 kJ/mol Joback Calculated Property
Δvap 81.27 kJ/mol Joback Calculated Property
log10WS -5.38 Crippen Calculated Property
logPoct/wat 3.580 Crippen Calculated Property
McVol 228.800 ml/mol McGowan Calculated Property
Pc 2058.62 kPa Joback Calculated Property
Inp [2060.00; 2060.00]   Show Hide
Inp 2060.00 NIST
Inp 2060.00 NIST
Tboil 833.39 K Joback Calculated Property
Tc 1076.04 K Joback Calculated Property
Tfus 600.89 K Joback Calculated Property
Vc 0.879 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [665.61; 734.01] J/mol×K [833.39; 1076.04] Show Hide
Cp,gas 665.61 J/mol×K 833.39 Joback Calculated Property
Cp,gas 679.93 J/mol×K 873.83 Joback Calculated Property
Cp,gas 693.03 J/mol×K 914.27 Joback Calculated Property
Cp,gas 704.94 J/mol×K 954.72 Joback Calculated Property
Cp,gas 715.71 J/mol×K 995.16 Joback Calculated Property
Cp,gas 725.38 J/mol×K 1035.60 Joback Calculated Property
Cp,gas 734.01 J/mol×K 1076.04 Joback Calculated Property

Similar Compounds

4-Nitrobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 3-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. 2-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. p-Toluic acid, 2-methyloct-5-yn-4-yl ester. 4-Nitrobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. m-Toluic acid, 2-methyloct-5-yn-4-yl ester. 2-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 3-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 4-Nitrobenzoic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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