Chemical Properties of 2,4,6-tris-(Methoxycarbonyl)-1-hexene

InChI

InChI=1S/C12H18O6/c1-8(11(14)17-3)7-9(12(15)18-4)5-6-10(13)16-2/h9H,1,5-7H2,2-4H3

InChI Key

ROTVGWWUMVNODQ-UHFFFAOYSA-N

Formula

C12H18O6

SMILES

C=C(CC(CCC(=O)OC)C(=O)OC)C(=O)OC

Molecular Weight¹

258.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.83	kJ/mol	Joback Calculated Property
logPoct/wat	0.848		Crippen Calculated Property
McVol	197.960	ml/mol	McGowan Calculated Property
Inp	[1730.00; 1730.00]
Inp	1730.00		NIST
Inp	1730.00		NIST
Tboil	550.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[299.09; 634.50]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.38430e+01
Coefficient B			9.65260e-01
Coefficient C			-3.73600e-04
Coefficient D			-2.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.09	J/mol×K	273.00	Calculated Property
Cp,gas	357.64	J/mol×K	353.78	Calculated Property
Cp,gas	411.03	J/mol×K	434.56	Calculated Property
Cp,gas	459.18	J/mol×K	515.33	Calculated Property
Cp,gas	502.04	J/mol×K	596.11	Calculated Property
Cp,gas	539.53	J/mol×K	676.89	Calculated Property
Cp,gas	571.59	J/mol×K	757.67	Calculated Property
Cp,gas	598.15	J/mol×K	838.44	Calculated Property
Cp,gas	619.14	J/mol×K	919.22	Calculated Property
Cp,gas	634.50	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-tris-(Methoxycarbonyl)-1-hexene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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