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	166.93	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.15; 204.19]	J/mol×K	[352.66; 524.18]
Cp,gas	155.15	J/mol×K	352.66	Joback Calculated Property
Cp,gas	164.09	J/mol×K	381.25	Joback Calculated Property
Cp,gas	172.71	J/mol×K	409.83	Joback Calculated Property
Cp,gas	181.03	J/mol×K	438.42	Joback Calculated Property
Cp,gas	189.04	J/mol×K	467.01	Joback Calculated Property
Cp,gas	196.76	J/mol×K	495.59	Joback Calculated Property
Cp,gas	204.19	J/mol×K	524.18	Joback Calculated Property
η	[0.0002029; 0.0023888]	Pa×s	[176.09; 352.66]
η	0.0023888	Pa×s	176.09	Joback Calculated Property
η	0.0011801	Pa×s	205.52	Joback Calculated Property
η	0.0006957	Pa×s	234.95	Joback Calculated Property
η	0.0004613	Pa×s	264.38	Joback Calculated Property
η	0.0003321	Pa×s	293.80	Joback Calculated Property
η	0.0002539	Pa×s	323.23	Joback Calculated Property
η	0.0002029	Pa×s	352.66	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[273.72; 389.62]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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