Chemical Properties of 3-Ethoxypropanal (CAS 2806-85-1)

InChI

InChI=1S/C5H10O2/c1-2-7-5-3-4-6/h4H,2-3,5H2,1H3

InChI Key

RKSGQXSDRYHVTM-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

CCOCCC=O

Molecular Weight¹

102.13

CAS

2806-85-1

Other Names

• Propanal, 3-ethoxy
• 3-ethoxypropionaldehyde

• 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).
• I : 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
ω	0.4063		Relay (1.0) Calculated Property
ΔfG°	-213.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-366.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.18	kJ/mol	Joback Calculated Property
ΔvapH°	41.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	0.74		Relay (1.0) Calculated Property
logPoct/wat	0.612		Crippen Calculated Property
McVol	88.750	ml/mol	McGowan Calculated Property
Pc	3713.49	kPa	Joback Calculated Property
I	[1153.00; 1191.00]
I	1153.00		NIST
I	1185.00		NIST
I	1185.00		NIST
I	1153.00		NIST
I	1191.00		NIST
I	1185.00		NIST
I	1175.00		NIST
Tboil	395.37	K	Relay (1.0) Calculated Property
Tc	581.98	K	Relay (1.0) Calculated Property
Tfus	200.98	K	Relay (1.0) Calculated Property
Vc	0.324	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.67; 211.04]	J/mol×K	[385.08; 558.61]
Cp,gas	165.67	J/mol×K	385.08	Joback Calculated Property
Cp,gas	173.83	J/mol×K	414.00	Joback Calculated Property
Cp,gas	181.75	J/mol×K	442.92	Joback Calculated Property
Cp,gas	189.43	J/mol×K	471.84	Joback Calculated Property
Cp,gas	196.87	J/mol×K	500.76	Joback Calculated Property
Cp,gas	204.08	J/mol×K	529.69	Joback Calculated Property
Cp,gas	211.04	J/mol×K	558.61	Joback Calculated Property
η	[0.0002903; 0.0030878]	Pa×s	[210.34; 385.08]
η	0.0030878	Pa×s	210.34	Joback Calculated Property
η	0.0016385	Pa×s	239.46	Joback Calculated Property
η	0.0009975	Pa×s	268.59	Joback Calculated Property
η	0.0006692	Pa×s	297.71	Joback Calculated Property
η	0.0004821	Pa×s	326.83	Joback Calculated Property
η	0.0003664	Pa×s	355.96	Joback Calculated Property
η	0.0002903	Pa×s	385.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethoxypropanal.

Sources

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

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