Chemical Properties of 3-Methoxybutanal (CAS 5281-76-5)

InChI

InChI=1S/C5H10O2/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3

InChI Key

VVXNMKJDQVBOLT-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

COC(C)CC=O

Molecular Weight¹

102.13

CAS

5281-76-5

• 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).
• 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°	-215.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-369.61	kJ/mol	Joback Calculated Property
ΔfusH°	8.66	kJ/mol	Joback Calculated Property
ΔvapH°	35.47	kJ/mol	Joback Calculated Property
log10WS	-0.39		Crippen Calculated Property
logPoct/wat	0.610		Crippen Calculated Property
McVol	88.750	ml/mol	McGowan Calculated Property
Pc	3749.97	kPa	Joback Calculated Property
Inp	[716.00; 724.00]
Inp	716.00		NIST
Inp	724.00		NIST
Inp	716.00		NIST
Tboil	384.44	K	Joback Calculated Property
Tc	561.97	K	Joback Calculated Property
Tfus	195.34	K	Joback Calculated Property
Vc	0.344	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.58; 212.38]	J/mol×K	[384.44; 561.97]
Cp,gas	165.58	J/mol×K	384.44	Joback Calculated Property
Cp,gas	174.02	J/mol×K	414.03	Joback Calculated Property
Cp,gas	182.20	J/mol×K	443.62	Joback Calculated Property
Cp,gas	190.13	J/mol×K	473.21	Joback Calculated Property
Cp,gas	197.81	J/mol×K	502.79	Joback Calculated Property
Cp,gas	205.22	J/mol×K	532.38	Joback Calculated Property
Cp,gas	212.38	J/mol×K	561.97	Joback Calculated Property
η	[0.0002815; 0.0048899]	Pa×s	[195.34; 384.44]
η	0.0048899	Pa×s	195.34	Joback Calculated Property
η	0.0021832	Pa×s	226.86	Joback Calculated Property
η	0.0011867	Pa×s	258.37	Joback Calculated Property
η	0.0007365	Pa×s	289.89	Joback Calculated Property
η	0.0005019	Pa×s	321.41	Joback Calculated Property
η	0.0003663	Pa×s	352.92	Joback Calculated Property
η	0.0002815	Pa×s	384.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxybutanal.

Sources

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

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