Chemical Properties of Carbonic acid, monoamide, N-2-ethylhexyl-, but-3-yn-1-yl ester

Carbonic acid, monoamide, N-2-ethylhexyl-, but-3-yn-1-yl ester

InChI
InChI=1S/C13H23NO2/c1-4-7-9-12(6-3)11-14-13(15)16-10-8-5-2/h2,12H,4,6-11H2,1,3H3,(H,14,15)
InChI Key
XUPTYRDWCNUOHZ-UHFFFAOYSA-N
Formula
C13H23NO2
SMILES
C#CCCOC(=O)NCC(CC)CCCC
Molecular Weight1
225.33
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Physical Properties

Property Value Unit Source
ΔfusH° 38.35 kJ/mol Joback Calculated Property
log10WS -3.56 Relay (1.0) Calculated Property
logPoct/wat 2.952 Crippen Calculated Property
McVol 202.850 ml/mol McGowan Calculated Property
Inp [1729.00; 1729.00]   Show Hide
Inp 1729.00 NIST
Inp 1729.00 NIST
Tboil 560.22 K Relay (1.0) Calculated Property
Tfus 263.26 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [302.28; 677.87] 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 A2.73670e+01
Coefficient B1.17224e+00
Coefficient C-6.36530e-04
Coefficient D1.14790e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 302.28 J/mol×K 273.00 Calculated Property
Cp,gas 367.49 J/mol×K 353.78 Calculated Property
Cp,gas 425.99 J/mol×K 434.56 Calculated Property
Cp,gas 478.13 J/mol×K 515.33 Calculated Property
Cp,gas 524.28 J/mol×K 596.11 Calculated Property
Cp,gas 564.80 J/mol×K 676.89 Calculated Property
Cp,gas 600.06 J/mol×K 757.67 Calculated Property
Cp,gas 630.41 J/mol×K 838.44 Calculated Property
Cp,gas 656.23 J/mol×K 919.22 Calculated Property
Cp,gas 677.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

Carbonic acid, monoamide, N-2-ethylhexyl-, propyl ester. Carbonic acid, monoamide, N-(2-ethylhexyl)-, octyl ester. Carbonic acid, monoamide, N-heptyl-, but-3-yn-1-yl ester. Carbonic acid, monoamide, N-nonyl-, but-3-yn-1-yl ester. Carbonic acid, monoamide, N-octadecyl-, but-3-yn-1-yl ester. Carbonic acid, monoamide, N-dodecyl-, but-3-yn-1-yl ester. Carbonic acid, monoamide, N-octyl-, but-3-yn-1-yl ester. Carbonic acid, monoamide, N-hexadecyl-, but-3-yn-1-yl ester. Carbonic acid, monoamide, N-undecyl-, but-3-yn-1-yl ester. Carbonic acid, monoamide, N-heptyl-, propyl ester. Carbonic acid, monoamide, N-hexadecyl-, propyl ester. Carbonic acid, monoamide, N-octyl-, propyl ester. Carbonic acid, monoamide, N-dodecyl-, propyl ester. Carbonic acid, monoamide, N-decyl-, propyl ester. Carbonic acid, monoamide, N-nonyl-, propyl ester.

Find more compounds similar to Carbonic acid, monoamide, N-2-ethylhexyl-, but-3-yn-1-yl ester.

Sources

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