Chemical Properties of 1-Naphthoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

1-Naphthoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C21H22O2/c1-15(2)12-13-18(14-16(3)4)23-21(22)20-11-7-9-17-8-5-6-10-19(17)20/h5-11,16,18H,1,14H2,2-4H3
InChI Key
YWDNWKDCBRGVGC-UHFFFAOYSA-N
Formula
C21H22O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc2ccccc12
Molecular Weight1
306.40
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Physical Properties

Property Value Unit Source
ω 0.6323 Relay (1.0) Calculated Property
ΔfG° 378.66 kJ/mol Joback Calculated Property
ΔfH°gas -24.14 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.09 kJ/mol Joback Calculated Property
ΔvapH° 100.94 kJ/mol Relay (1.0) Calculated Property
IE 8.12 eV Relay (1.0) Calculated Property
log10WS -5.69 Relay (1.0) Calculated Property
logPoct/wat 4.991 Crippen Calculated Property
McVol 258.070 ml/mol McGowan Calculated Property
Pc 1730.34 kPa Joback Calculated Property
Inp 2277.00 NIST
Tboil 645.40 K Relay (1.0) Calculated Property
Tc 895.74 K Relay (1.0) Calculated Property
Tfus 324.71 K Relay (1.0) Calculated Property
Vc 0.902 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [739.38; 823.43] J/mol×K [811.49; 1048.16] Show Hide
Cp,gas 739.38 J/mol×K 811.49 Joback Calculated Property
Cp,gas 756.04 J/mol×K 850.93 Joback Calculated Property
Cp,gas 771.52 J/mol×K 890.38 Joback Calculated Property
Cp,gas 785.90 J/mol×K 929.82 Joback Calculated Property
Cp,gas 799.29 J/mol×K 969.27 Joback Calculated Property
Cp,gas 811.76 J/mol×K 1008.71 Joback Calculated Property
Cp,gas 823.43 J/mol×K 1048.16 Joback Calculated Property

Similar Compounds

1-Naphthoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester. 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl propyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isobutyl ester. p-Anisic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ethyl ester.

Find more compounds similar to 1-Naphthoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Sources

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