Chemical Properties of 2,4,6-TRIMETHOXYBENZONITRILE

2,4,6-TRIMETHOXYBENZONITRILE

InChI
InChI=1S/C10H11NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,1-3H3
InChI Key
GBRHJUMDNWLSCT-UHFFFAOYSA-N
Formula
C10H11NO3
SMILES
COc1cc(OC)c(C#N)c(OC)c1
Molecular Weight1
193.20
Other Names
  • Benzonitrile, 2,4,6-trimethoxy-
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Physical Properties

Property Value Unit Source
ΔcH°solid -5150.00 ± 0.90 kJ/mol NIST
ΔfH°gas -244.60 ± 2.60 kJ/mol NIST
ΔfH°solid -357.20 ± 1.60 kJ/mol NIST
ΔfusH° 19.60 kJ/mol Joback Calculated Property
ΔsubH° [112.60; 112.60] kJ/mol Show Hide
ΔsubH° 112.60 ± 2.00 kJ/mol NIST
ΔsubH° 112.60 ± 2.00 kJ/mol NIST
ΔvapH° 78.80 kJ/mol Relay (1.0) Calculated Property
IE 8.43 eV Relay (1.0) Calculated Property
log10WS -3.12 Relay (1.0) Calculated Property
logPoct/wat 1.584 Crippen Calculated Property
McVol 146.990 ml/mol McGowan Calculated Property
Tboil 594.27 K Relay (1.0) Calculated Property
Tfus 415.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 [215.60; 439.57] 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 A9.62900e+01
Coefficient B4.41660e-01
Coefficient C1.37200e-05
Coefficient D-1.12100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 215.60 J/mol×K 273.00 Calculated Property
Cp,gas 249.29 J/mol×K 353.78 Calculated Property
Cp,gas 281.61 J/mol×K 434.56 Calculated Property
Cp,gas 312.19 J/mol×K 515.33 Calculated Property
Cp,gas 340.70 J/mol×K 596.11 Calculated Property
Cp,gas 366.76 J/mol×K 676.89 Calculated Property
Cp,gas 390.04 J/mol×K 757.67 Calculated Property
Cp,gas 410.17 J/mol×K 838.44 Calculated Property
Cp,gas 426.80 J/mol×K 919.22 Calculated Property
Cp,gas 439.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,6-Dimethoxybenzonitrile. 2,4,6-Trimethoxytoluene. 2-METHOXYBENZONITRILE. 2,4,6-TRIMETHOXYBENZALDEHYDE. Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl). Dimethoxytoluene, 2,4-. 2,4,6-Trimethoxybenzoic acid. Benzonitrile, 2,3-dimethoxy-. 2,6-Dimethoxytoluene. Benzonitrile, 2-fluoro-6-methoxy-. 2,4,6-Trimethoxyacetophenone. 2,6-Dimethoxybenzaldehyde. 2-Benzyloxy-6-methoxybenzonitrile. 1-Naphthalenecarbonitrile, 2-methoxy-. 2,4-dimethoxybenzaldehyde.

Find more compounds similar to 2,4,6-TRIMETHOXYBENZONITRILE.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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