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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-574.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-915.05	kJ/mol	Joback Calculated Property
ΔfusH°	29.08	kJ/mol	Joback Calculated Property
ΔvapH°	68.80	kJ/mol	Joback Calculated Property
log10WS	-1.05		Crippen Calculated Property
logPoct/wat	0.848		Crippen Calculated Property
McVol	197.960	ml/mol	McGowan Calculated Property
Pc	2110.00	kPa	Joback Calculated Property
Inp	[1730.00; 1730.00]
Inp	1730.00		NIST
Inp	1730.00		NIST
Tboil	698.95	K	Joback Calculated Property
Tc	890.93	K	Joback Calculated Property
Tfus	410.76	K	Joback Calculated Property
Vc	0.755	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.39; 606.77]	J/mol×K	[698.95; 890.93]
Cp,gas	539.39	J/mol×K	698.95	Joback Calculated Property
Cp,gas	552.48	J/mol×K	730.95	Joback Calculated Property
Cp,gas	564.84	J/mol×K	762.94	Joback Calculated Property
Cp,gas	576.46	J/mol×K	794.94	Joback Calculated Property
Cp,gas	587.32	J/mol×K	826.94	Joback Calculated Property
Cp,gas	597.43	J/mol×K	858.94	Joback Calculated Property
Cp,gas	606.77	J/mol×K	890.93	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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