Chemical Properties of Benzene, (2-propenyloxy)- (CAS 1746-13-0)

InChI

InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2

InChI Key

POSICDHOUBKJKP-UHFFFAOYSA-N

Formula

C9H10O

SMILES

C=CCOc1ccccc1

Molecular Weight¹

134.18

CAS

1746-13-0

Other Names

• Ether, allyl phenyl
• Allyl phenoxylate
• Allyl phenyl ether
• Allyloxybenzene
• Phenyl allyl ether
• Phenyl 2-propenyl ether
• 3-Phenoxypropene
• Phenylpropenyl ether
• USAF DO-23
• (2-Propenyloxy)benzene
• Benzene, (2-propen-1-yloxy)-
• NSC 4746

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• 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
ω	0.3854		Relay (1.0) Calculated Property
ΔcH°liquid	-4932.90 ± 2.50	kJ/mol	NIST
ΔfH°gas	9.59	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-37.70 ± 2.50	kJ/mol	NIST
ΔfusH°	13.01	kJ/mol	Joback Calculated Property
ΔvapH°	50.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-2.21		Relay (1.0) Calculated Property
logPoct/wat	2.251		Crippen Calculated Property
McVol	115.480	ml/mol	McGowan Calculated Property
Pc	3356.75	kPa	Joback Calculated Property
Tboil	[464.90; 464.90]	K
Tboil	464.90	K	NIST
Tboil	464.90 ± 0.50	K	NIST
Tc	673.77	K	Relay (1.0) Calculated Property
Tfus	236.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.74; 355.11]	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			-1.66890e+01
Coefficient B			6.96700e-01
Coefficient C			-4.08900e-04
Coefficient D			8.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.74	J/mol×K	273.00	Calculated Property
Cp,gas	182.33	J/mol×K	353.78	Calculated Property
Cp,gas	215.74	J/mol×K	434.56	Calculated Property
Cp,gas	245.25	J/mol×K	515.33	Calculated Property
Cp,gas	271.11	J/mol×K	596.11	Calculated Property
Cp,gas	293.60	J/mol×K	676.89	Calculated Property
Cp,gas	312.98	J/mol×K	757.67	Calculated Property
Cp,gas	329.51	J/mol×K	838.44	Calculated Property
Cp,gas	343.47	J/mol×K	919.22	Calculated Property
Cp,gas	355.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024201; 0.0001892]	Pa×s	[238.08; 463.28]	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			-1.12668e+01
Coefficient B			1.24823e+03
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.			238.08
Temperature range, max.			463.28
η	0.0024201	Pa×s	238.08	Calculated Property
η	0.0014699	Pa×s	263.10	Calculated Property
η	0.0009735	Pa×s	288.12	Calculated Property
η	0.0006887	Pa×s	313.15	Calculated Property
η	0.0005128	Pa×s	338.17	Calculated Property
η	0.0003976	Pa×s	363.19	Calculated Property
η	0.0003186	Pa×s	388.21	Calculated Property
η	0.0002622	Pa×s	413.24	Calculated Property
η	0.0002207	Pa×s	438.26	Calculated Property
η	0.0001892	Pa×s	463.28	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (2-propenyloxy)-.

Sources

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

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