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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.87; 286.56]	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			3.52430e+01
Coefficient B			3.90120e-01
Coefficient C			-1.30200e-04
Coefficient D			-8.60000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.87	J/mol×K	273.00	Calculated Property
Cp,gas	156.58	J/mol×K	353.78	Calculated Property
Cp,gas	179.48	J/mol×K	434.56	Calculated Property
Cp,gas	200.53	J/mol×K	515.33	Calculated Property
Cp,gas	219.71	J/mol×K	596.11	Calculated Property
Cp,gas	236.99	J/mol×K	676.89	Calculated Property
Cp,gas	252.34	J/mol×K	757.67	Calculated Property
Cp,gas	265.74	J/mol×K	838.44	Calculated Property
Cp,gas	277.16	J/mol×K	919.22	Calculated Property
Cp,gas	286.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030878; 0.0002780]	Pa×s	[210.34; 391.03]	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			-1.09907e+01
Coefficient B			1.09596e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			210.34
Temperature range, max.			391.03
η	0.0030878	Pa×s	210.34	Calculated Property
η	0.0019610	Pa×s	230.42	Calculated Property
η	0.0013394	Pa×s	250.49	Calculated Property
η	0.0009681	Pa×s	270.57	Calculated Property
η	0.0007319	Pa×s	290.64	Calculated Property
η	0.0005736	Pa×s	310.72	Calculated Property
η	0.0004631	Pa×s	330.80	Calculated Property
η	0.0003831	Pa×s	350.87	Calculated Property
η	0.0003235	Pa×s	370.95	Calculated Property
η	0.0002780	Pa×s	391.03	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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