Chemical Properties of 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C19H21NO2/c1-5-6-15(4)18(12-7-14(2)3)22-19(21)17-10-8-16(13-20)9-11-17/h8-11,15,18H,2,5-6H2,1,3-4H3
InChI Key
ARBGFWDAVXOGHV-UHFFFAOYSA-N
Formula
C19H21NO2
SMILES
C=C(C)C#CC(OC(=O)c1ccc(C#N)cc1)C(C)CCC
Molecular Weight1
295.38
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Physical Properties

Property Value Unit Source
ΔfusH° 36.40 kJ/mol Joback Calculated Property
IE 9.30 eV Relay (1.0) Calculated Property
logPoct/wat 4.099 Crippen Calculated Property
McVol 250.730 ml/mol McGowan Calculated Property
Inp 2084.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [723.19; 793.53] J/mol×K [848.83; 1080.56] Show Hide
Cp,gas 723.19 J/mol×K 848.83 Joback Calculated Property
Cp,gas 737.54 J/mol×K 887.45 Joback Calculated Property
Cp,gas 750.77 J/mol×K 926.07 Joback Calculated Property
Cp,gas 762.93 J/mol×K 964.69 Joback Calculated Property
Cp,gas 774.08 J/mol×K 1003.32 Joback Calculated Property
Cp,gas 784.26 J/mol×K 1041.94 Joback Calculated Property
Cp,gas 793.53 J/mol×K 1080.56 Joback Calculated Property

Similar Compounds

p-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. 4-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-(Ttifluoromethyl)benzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester. 4-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. 4-Nitrobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. m-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. Isophthalic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Bromobenzoic acid, 2,6-dimethylnon-1-en--3-yn-5-yl ester. 2-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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