Chemical Properties of 1-Propene, 1,3,3-trimethoxy- (CAS 17576-35-1)

InChI

InChI=1S/C6H12O3/c1-7-5-4-6(8-2)9-3/h4-6H,1-3H3/b5-4+

InChI Key

JGVSIZVWGGQMPY-SNAWJCMRSA-N

Formula

C6H12O3

SMILES

COC=CC(OC)OC

Molecular Weight¹

132.16

CAS

17576-35-1

Other Names

• Acrolein, 3-methoxy-, dimethyl acetal
• 1,3,3-Trimethoxy-1-propene
• 1,3,3-Trimethoxypropene
• 1,3,3-Trimethoxy-2-propene

• 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).
• 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, 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	[164.66; 354.33]	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			5.80700e+01
Coefficient B			4.10160e-01
Coefficient C			-5.66000e-05
Coefficient D			-5.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.66	J/mol×K	273.00	Calculated Property
Cp,gas	193.55	J/mol×K	353.78	Calculated Property
Cp,gas	220.92	J/mol×K	434.56	Calculated Property
Cp,gas	246.57	J/mol×K	515.33	Calculated Property
Cp,gas	270.32	J/mol×K	596.11	Calculated Property
Cp,gas	292.00	J/mol×K	676.89	Calculated Property
Cp,gas	311.42	J/mol×K	757.67	Calculated Property
Cp,gas	328.40	J/mol×K	838.44	Calculated Property
Cp,gas	342.77	J/mol×K	919.22	Calculated Property
Cp,gas	354.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031068; 0.0001407]	Pa×s	[203.99; 410.22]	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			-1.19300e+01
Coefficient B			1.25573e+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.			203.99
Temperature range, max.			410.22
η	0.0031068	Pa×s	203.99	Calculated Property
η	0.0016685	Pa×s	226.90	Calculated Property
η	0.0010044	Pa×s	249.82	Calculated Property
η	0.0006584	Pa×s	272.73	Calculated Property
η	0.0004608	Pa×s	295.65	Calculated Property
η	0.0003395	Pa×s	318.56	Calculated Property
η	0.0002606	Pa×s	341.47	Calculated Property
η	0.0002068	Pa×s	364.39	Calculated Property
η	0.0001686	Pa×s	387.30	Calculated Property
η	0.0001407	Pa×s	410.22	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propene, 1,3,3-trimethoxy-.

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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