Chemical Properties of (E,E) Di-1-propenyl methyl orthoacetate (CAS 66178-23-2)

InChI

InChI=1S/C9H16O3/c1-5-7-11-9(3,10-4)12-8-6-2/h5-8H,1-4H3/b7-5+,8-6+

InChI Key

OKCRPXLGUMMWRB-KQQUZDAGSA-N

Formula

C9H16O3

SMILES

CC=COC(C)(OC)OC=CC

Molecular Weight¹

172.22

CAS

66178-23-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[213.15; 479.45]	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			1.83700e+01
Coefficient B			8.35080e-01
Coefficient C			-4.72200e-04
Coefficient D			9.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.15	J/mol×K	273.00	Calculated Property
Cp,gas	259.05	J/mol×K	353.78	Calculated Property
Cp,gas	300.15	J/mol×K	434.56	Calculated Property
Cp,gas	336.75	J/mol×K	515.33	Calculated Property
Cp,gas	369.18	J/mol×K	596.11	Calculated Property
Cp,gas	397.73	J/mol×K	676.89	Calculated Property
Cp,gas	422.72	J/mol×K	757.67	Calculated Property
Cp,gas	444.47	J/mol×K	838.44	Calculated Property
Cp,gas	463.27	J/mol×K	919.22	Calculated Property
Cp,gas	479.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027854; 0.0001148]	Pa×s	[250.14; 467.15]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.27482e+01
Coefficient B			1.71717e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			250.14
Temperature range, max.			467.15
η	0.0027854	Pa×s	250.14	Calculated Property
η	0.0015232	Pa×s	274.25	Calculated Property
η	0.0009184	Pa×s	298.36	Calculated Property
η	0.0005972	Pa×s	322.48	Calculated Property
η	0.0004123	Pa×s	346.59	Calculated Property
η	0.0002987	Pa×s	370.70	Calculated Property
η	0.0002251	Pa×s	394.81	Calculated Property
η	0.0001753	Pa×s	418.93	Calculated Property
η	0.0001402	Pa×s	443.04	Calculated Property
η	0.0001148	Pa×s	467.15	Calculated Property

Similar Compounds

Find more compounds similar to (E,E) Di-1-propenyl methyl orthoacetate.

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

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