Chemical Properties of Propanal, 3-methoxy- (CAS 2806-84-0)

InChI

InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3

InChI Key

OXGJKCALURPRCN-UHFFFAOYSA-N

Formula

C4H8O2

SMILES

COCCC=O

Molecular Weight¹

88.11

CAS

2806-84-0

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[110.65; 234.97]	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			3.61520e+01
Coefficient B			2.95120e-01
Coefficient C			-7.58000e-05
Coefficient D			-2.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	110.65	J/mol×K	273.00	Calculated Property
Cp,gas	130.16	J/mol×K	353.78	Calculated Property
Cp,gas	148.40	J/mol×K	434.56	Calculated Property
Cp,gas	165.30	J/mol×K	515.33	Calculated Property
Cp,gas	180.80	J/mol×K	596.11	Calculated Property
Cp,gas	194.83	J/mol×K	676.89	Calculated Property
Cp,gas	207.32	J/mol×K	757.67	Calculated Property
Cp,gas	218.22	J/mol×K	838.44	Calculated Property
Cp,gas	227.46	J/mol×K	919.22	Calculated Property
Cp,gas	234.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027202; 0.0002560]	Pa×s	[199.07; 375.33]	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			-1.09395e+01
Coefficient B			1.00180e+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.			199.07
Temperature range, max.			375.33
η	0.0027202	Pa×s	199.07	Calculated Property
η	0.0017332	Pa×s	218.65	Calculated Property
η	0.0011892	Pa×s	238.24	Calculated Property
η	0.0008641	Pa×s	257.82	Calculated Property
η	0.0006568	Pa×s	277.41	Calculated Property
η	0.0005176	Pa×s	296.99	Calculated Property
η	0.0004201	Pa×s	316.58	Calculated Property
η	0.0003494	Pa×s	336.16	Calculated Property
η	0.0002965	Pa×s	355.75	Calculated Property
η	0.0002560	Pa×s	375.33	Calculated Property

Similar Compounds

Find more compounds similar to Propanal, 3-methoxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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