Chemical Properties of 1-Propene, 3-methoxy- (CAS 627-40-7)

InChI

InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3

InChI Key

FASUFOTUSHAIHG-UHFFFAOYSA-N

Formula

C4H8O

SMILES

C=CCOC

Molecular Weight¹

72.11

CAS

627-40-7

Other Names

• 1-Methoxy-2-propene
• 3-Methoxy-1-propene
• 3-Methoxypropene
• 4-Oxapent-1-ene
• Allyl methyl ether
• CH2=CHCH2OCH3
• Ether, allyl methyl
• Methyl 2-propenyl ether
• Methyl allyl ether

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	6.02	kJ/mol	Joback Calculated Property
IE	[9.56; 9.84]	eV
IE	9.56	eV	NIST
IE	9.84 ± 0.05	eV	NIST
logPoct/wat	0.819		Crippen Calculated Property
McVol	68.790	ml/mol	McGowan Calculated Property
Inp	[529.00; 529.00]
Inp	529.00		NIST
Inp	529.00		NIST
Tboil	[319.15; 320.00]	K
Tboil	319.20	K	NIST
Tboil	319.15 ± 2.00	K	NIST
Tboil	320.00 ± 3.00	K	NIST
Tc	479.27	K	Relay (1.0) Calculated Property
Tfus	138.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[95.93; 215.68]	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			2.17610e+01
Coefficient B			3.00620e-01
Coefficient C			-1.05700e-04
Coefficient D			-1.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	95.93	J/mol×K	273.00	Calculated Property
Cp,gas	114.84	J/mol×K	353.78	Calculated Property
Cp,gas	132.35	J/mol×K	434.56	Calculated Property
Cp,gas	148.47	J/mol×K	515.33	Calculated Property
Cp,gas	163.19	J/mol×K	596.11	Calculated Property
Cp,gas	176.51	J/mol×K	676.89	Calculated Property
Cp,gas	188.42	J/mol×K	757.67	Calculated Property
Cp,gas	198.92	J/mol×K	838.44	Calculated Property
Cp,gas	208.01	J/mol×K	919.22	Calculated Property
Cp,gas	215.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019925; 0.0001535]	Pa×s	[155.31; 334.12]	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			-1.10088e+01
Coefficient B			7.44010e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			155.31
Temperature range, max.			334.12
η	0.0019925	Pa×s	155.31	Calculated Property
η	0.0011573	Pa×s	175.18	Calculated Property
η	0.0007509	Pa×s	195.04	Calculated Property
η	0.0005277	Pa×s	214.91	Calculated Property
η	0.0003937	Pa×s	234.78	Calculated Property
η	0.0003075	Pa×s	254.65	Calculated Property
η	0.0002489	Pa×s	274.51	Calculated Property
η	0.0002073	Pa×s	294.38	Calculated Property
η	0.0001767	Pa×s	314.25	Calculated Property
η	0.0001535	Pa×s	334.12	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[234.72; 327.08]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64842e+01
Coefficient B			-3.32682e+03
Coefficient C			-2.93180e+01
Temperature range, min.			234.72
Temperature range, max.			327.08
Pvap	1.33	kPa	234.72	Calculated Property
Pvap	2.88	kPa	244.98	Calculated Property
Pvap	5.81	kPa	255.24	Calculated Property
Pvap	11.01	kPa	265.51	Calculated Property
Pvap	19.79	kPa	275.77	Calculated Property
Pvap	33.95	kPa	286.03	Calculated Property
Pvap	55.87	kPa	296.29	Calculated Property
Pvap	88.62	kPa	306.56	Calculated Property
Pvap	136.00	kPa	316.82	Calculated Property
Pvap	202.64	kPa	327.08	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propene, 3-methoxy-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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