Chemical Properties of 1-Propene, 3,3'-oxybis- (CAS 557-40-4)

InChI

InChI=1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

InChI Key

ATVJXMYDOSMEPO-UHFFFAOYSA-N

Formula

C6H10O

SMILES

C=CCOCC=C

Molecular Weight¹

98.14

CAS

557-40-4

Other Names

• (CH2=CHCH2)2O
• 3,3'-Oxybis(1-propene)
• Allyl ether
• Diallyl ether
• Ether, diallyl
• UN 2360

• 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_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
PAff	827.40	kJ/mol	NIST
BasG	800.00	kJ/mol	NIST
ΔfusH°	9.92	kJ/mol	Joback Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
logPoct/wat	1.375		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Inp	[678.00; 678.00]
Inp	678.00		NIST
Inp	678.00		NIST
Tboil	[367.00; 367.70]	K
Tboil	367.20	K	NIST
Tboil	367.00	K	NIST
Tboil	367.70 ± 0.50	K	NIST
Tboil	367.70 ± 0.30	K	NIST
Tc	561.21	K	Relay (1.0) Calculated Property
Tfus	267.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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	[128.55; 290.35]	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			1.69520e+01
Coefficient B			4.70600e-01
Coefficient C			-2.37400e-04
Coefficient D			4.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.55	J/mol×K	273.00	Calculated Property
Cp,gas	155.51	J/mol×K	353.78	Calculated Property
Cp,gas	179.92	J/mol×K	434.56	Calculated Property
Cp,gas	201.92	J/mol×K	515.33	Calculated Property
Cp,gas	221.64	J/mol×K	596.11	Calculated Property
Cp,gas	239.19	J/mol×K	676.89	Calculated Property
Cp,gas	254.71	J/mol×K	757.67	Calculated Property
Cp,gas	268.33	J/mol×K	838.44	Calculated Property
Cp,gas	280.17	J/mol×K	919.22	Calculated Property
Cp,gas	290.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004458; 0.0001844]	Pa×s	[267.15; 366.92]	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			-1.09616e+01
Coefficient B			8.67170e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			267.15
Temperature range, max.			366.92
η	0.0004458	Pa×s	267.15	Calculated Property
η	0.0003918	Pa×s	278.24	Calculated Property
η	0.0003477	Pa×s	289.32	Calculated Property
η	0.0003112	Pa×s	300.41	Calculated Property
η	0.0002809	Pa×s	311.49	Calculated Property
η	0.0002552	Pa×s	322.58	Calculated Property
η	0.0002334	Pa×s	333.67	Calculated Property
η	0.0002147	Pa×s	344.75	Calculated Property
η	0.0001985	Pa×s	355.84	Calculated Property
η	0.0001844	Pa×s	366.92	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[273.72; 389.62]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53027e+01
Coefficient B			-3.46102e+03
Coefficient C			-4.32180e+01
Temperature range, min.			273.72
Temperature range, max.			389.62
Pvap	1.33	kPa	273.72	Calculated Property
Pvap	2.95	kPa	286.60	Calculated Property
Pvap	6.03	kPa	299.48	Calculated Property
Pvap	11.51	kPa	312.35	Calculated Property
Pvap	20.70	kPa	325.23	Calculated Property
Pvap	35.38	kPa	338.11	Calculated Property
Pvap	57.81	kPa	350.99	Calculated Property
Pvap	90.82	kPa	363.86	Calculated Property
Pvap	137.77	kPa	376.74	Calculated Property
Pvap	202.63	kPa	389.62	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propene, 3,3'-oxybis-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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