Chemical Properties of 4-Cyanobenzoic acid, 2-(1-adamantyl)ethyl ester

4-Cyanobenzoic acid, 2-(1-adamantyl)ethyl ester

InChI
InChI=1S/C20H23NO2/c21-13-14-1-3-18(4-2-14)19(22)23-6-5-20-10-15-7-16(11-20)9-17(8-15)12-20/h1-4,15-17H,5-12H2
InChI Key
AZWYYPCUJHQVSQ-UHFFFAOYSA-N
Formula
C20H23NO2
SMILES
N#Cc1ccc(C(=O)OCCC23CC4CC(CC(C4)C2)C3)cc1
Molecular Weight1
309.40
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Physical Properties

Property Value Unit Source
ΔfusH° 34.16 kJ/mol Joback Calculated Property
IE 9.43 eV Relay (1.0) Calculated Property
logPoct/wat 4.322 Crippen Calculated Property
McVol 245.140 ml/mol McGowan Calculated Property
Inp [2509.00; 2509.00]   Show Hide
Inp 2509.00 NIST
Inp 2509.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [315.88; 869.15] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.92388e+02
Coefficient B2.35390e+00
Coefficient C-1.99416e-03
Coefficient D7.01800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 315.88 J/mol×K 273.00 Calculated Property
Cp,gas 421.86 J/mol×K 353.78 Calculated Property
Cp,gas 511.53 J/mol×K 434.56 Calculated Property
Cp,gas 587.11 J/mol×K 515.33 Calculated Property
Cp,gas 650.84 J/mol×K 596.11 Calculated Property
Cp,gas 704.91 J/mol×K 676.89 Calculated Property
Cp,gas 751.56 J/mol×K 757.67 Calculated Property
Cp,gas 793.01 J/mol×K 838.44 Calculated Property
Cp,gas 831.46 J/mol×K 919.22 Calculated Property
Cp,gas 869.15 J/mol×K 1000.00 Calculated Property

Similar Compounds

p-Toluic acid, 2-(1-adamantyl)ethyl ester. 4-cyanobenzoic acid, 1-adamantylmethyl ester. 2-Chlorobenzoic acid, 2-(1-adamantyl)ethyl ester. m-Toluic acid, 2-(1-adamantyl)ethyl ester. p-Anisic acid, 2-(1-adamantyl)ethyl ester. 4-Ethylbenzoic acid, 2-(1-adamantyl)ethyl ester. Isophthalic acid, 2-cyclohexylethyl ethyl ester. Isophthalic acid, di(2-cyclohexylethyl) ester. Isophthalic acid, 1-adamantylmethyl octyl ester. Isophthalic acid, 1-adamantylmethyl pentyl ester. Isophthalic acid, 1-adamantylmethyl hexyl ester. Isophthalic acid, 1-adamantylmethyl heptyl ester. Isophthalic acid, 1-adamantylmethyl nonyl ester. Isophthalic acid, 1-adamantylmethyl isohexyl ester. Isophthalic acid, 1-adamantylmethyl butyl ester.

Find more compounds similar to 4-Cyanobenzoic acid, 2-(1-adamantyl)ethyl ester.

Sources

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