Chemical Properties of Allyl ethyl ether (CAS 557-31-3)

InChI

InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3

InChI Key

OJPSFJLSZZTSDF-UHFFFAOYSA-N

Formula

C5H10O

SMILES

C=CCOCC

Molecular Weight¹

86.13

CAS

557-31-3

Other Names

• 1-Propene, 3-ethoxy-
• 3-ETHOXY-1-PROPENE
• 3-Ethoxypropene
• CH3CH2OCH2CH=CH2
• Ether, allyl ethyl
• Ethyl 2-propenyl ether
• Ethyl allyl ether
• UN 2335

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_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
ω	0.2649		Relay (1.0) Calculated Property
PAff	833.70	kJ/mol	NIST
BasG	804.50	kJ/mol	NIST
ΔfG°	-25.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-149.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.61	kJ/mol	Joback Calculated Property
ΔvapH°	31.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-0.59		Relay (1.0) Calculated Property
logPoct/wat	1.209		Crippen Calculated Property
McVol	82.880	ml/mol	McGowan Calculated Property
Pc	3572.80	kPa	Joback Calculated Property
Inp	[567.00; 586.00]
Inp	567.00		NIST
Inp	570.00		NIST
Inp	567.00		NIST
Inp	571.00		NIST
Inp	Outlier 586.00		NIST
Inp	571.00		NIST
Inp	567.00		NIST
Tboil	[335.15; 340.80]	K
Tboil	340.80	K	KDB
Tboil	339.20	K	NIST
Tboil	340.00	K	NIST
Tboil	335.15 ± 2.00	K	NIST
Tc	[518.00; 518.00]	K
Tc	518.00	K	KDB
Tc	518.00 ± 10.00	K	NIST
Tfus	151.45	K	Relay (1.0) Calculated Property
Vc	0.294	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[117.15; 267.27]	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			2.08520e+01
Coefficient B			3.95620e-01
Coefficient C			-1.60100e-04
Coefficient D			1.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	117.15	J/mol×K	273.00	Calculated Property
Cp,gas	141.26	J/mol×K	353.78	Calculated Property
Cp,gas	163.43	J/mol×K	434.56	Calculated Property
Cp,gas	183.70	J/mol×K	515.33	Calculated Property
Cp,gas	202.10	J/mol×K	596.11	Calculated Property
Cp,gas	218.67	J/mol×K	676.89	Calculated Property
Cp,gas	233.43	J/mol×K	757.67	Calculated Property
Cp,gas	246.43	J/mol×K	838.44	Calculated Property
Cp,gas	257.70	J/mol×K	919.22	Calculated Property
Cp,gas	267.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024826; 0.0001635]	Pa×s	[166.58; 362.60]	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			-1.10301e+01
Coefficient B			8.38170e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			166.58
Temperature range, max.			362.60
η	0.0024826	Pa×s	166.58	Calculated Property
η	0.0013875	Pa×s	188.36	Calculated Property
η	0.0008748	Pa×s	210.14	Calculated Property
η	0.0006015	Pa×s	231.92	Calculated Property
η	0.0004411	Pa×s	253.70	Calculated Property
η	0.0003397	Pa×s	275.48	Calculated Property
η	0.0002718	Pa×s	297.26	Calculated Property
η	0.0002242	Pa×s	319.04	Calculated Property
η	0.0001896	Pa×s	340.82	Calculated Property
η	0.0001635	Pa×s	362.60	Calculated Property

Similar Compounds

Find more compounds similar to Allyl ethyl ether.

Sources

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

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