Chemical Properties of Oxirane, (phenoxymethyl)- (CAS 122-60-1)

InChI

InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2

InChI Key

FQYUMYWMJTYZTK-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

c1ccc(OCC2CO2)cc1

Molecular Weight¹

150.17

CAS

122-60-1

Other Names

• (.+/-.)-(Phenoxymethyl)oxirane
• (.+/-.)-1,2-Epoxy-3-phenoxypropane
• (Phenoxymethyl)oxirane
• 1,2-Epoxy-3-phenoxypropane
• 1-Phenoxy-2,3-epoxypropane
• 2,3-Epoxy-1-phenoxypropane
• 2,3-Epoxypropoxybenzene
• 2,3-Epoxypropyl phenyl ether
• 2-(Phenoxymethyl)oxirane
• 2-Phenoxymethyloxirane
• 3-Phenoxy-1,2-epoxypropane
• 3-Phenoxy-1,2-propylene oxide
• 3-Phenyloxy-1,2-epoxypropane
• 3-Phenyloxy-1,2-epoxypropanel-, (.+/-.)-
• Ageflex pge
• Benzene, (2,3-epoxypropoxy)-
• Ether, 2,3-epoxypropyl phenyl
• Ether, phenylglycidyl
• Fenyl-glycidylether
• Glycidol phenyl ether
• Glycidyl phenyl ether
• NSC 53476
• Oxirane, 2-(phenoxymethyl)-
• PGE
• Phenol glycidyl ether
• Phenol-glycidaether
• Phenoxypropene oxide
• Phenoxypropylene oxide
• Phenyl 2,3-epoxypropyl ether
• Phenyl glycidyl ether
• Phenylglycydyl ether
• Propane, 1,2-epoxy-3-phenoxy-
• «gamma»-Phenoxypropylene oxide

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (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).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5939		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔcH°liquid	[-4801.21; -4785.00]	kJ/mol
ΔcH°liquid	-4801.21 ± 0.64	kJ/mol	NIST
ΔcH°liquid	-4785.00 ± 2.00	kJ/mol	NIST
ΔfH°gas	[-116.40; -99.70]	kJ/mol
ΔfH°gas	-99.70 ± 1.10	kJ/mol	NIST
ΔfH°gas	-116.40 ± 2.10	kJ/mol	NIST
ΔfH°gas	-116.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	[-182.00; -169.53]	kJ/mol
ΔfH°liquid	-169.53 ± 0.78	kJ/mol	NIST
ΔfH°liquid	-182.00 ± 2.00	kJ/mol	NIST
ΔfusH°	20.41	kJ/mol	Joback Calculated Property
ΔvapH°	[65.60; 69.90]	kJ/mol
ΔvapH°	69.85	kJ/mol	NIST
ΔvapH°	69.80	kJ/mol	NIST
ΔvapH°	69.90 ± 0.70	kJ/mol	NIST
ΔvapH°	65.60 ± 0.10	kJ/mol	NIST
ΔvapH°	66.00	kJ/mol	NIST
ΔvapH°	69.85	kJ/mol	NIST
ΔvapH°	69.80	kJ/mol	NIST
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-1.46		Relay (1.0) Calculated Property
logPoct/wat	1.464		Crippen Calculated Property
McVol	114.790	ml/mol	McGowan Calculated Property
Pc	[2950.00; 2950.00]	kPa
Pc	2950.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2950.00 ± 400.00	kPa	NIST
Pc	2950.00 ± 400.00	kPa	NIST
ρc	[324.38; 324.38]	kg/m3
ρc	324.38 ± 19.52	kg/m3	NIST
ρc	324.38 ± 19.52	kg/m3	NIST
Inp	[1251.00; 1251.00]
Inp	1251.00		NIST
Inp	1251.00		NIST
S°liquid	274.90	J/mol×K	NIST
Tboil	518.20	K	NIST
Tc	[720.00; 720.00]	K
Tc	720.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	720.00 ± 8.00	K	NIST
Tc	720.00 ± 8.00	K	NIST
Tfus	[276.79; 276.90]	K
Tfus	276.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	276.79	K	NIST
Ttriple	280.00 ± 0.10	K	NIST
Vc	0.324	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	276.00	J/mol×K	298.15	NIST
Cp,solid	278.70	J/mol×K	298.00	NIST
ΔfusH	[17.32; 17.32]	kJ/mol	[279.80; 279.80]
ΔfusH	17.32	kJ/mol	279.80	NIST
ΔfusH	17.32	kJ/mol	279.80	NIST
ΔvapH	[49.40; 65.61]	kJ/mol	[343.00; 466.00]
ΔvapH	65.61 ± 0.08	kJ/mol	343.00	NIST
ΔvapH	65.60 ± 0.10	kJ/mol	358.00	NIST
ΔvapH	60.30 ± 0.50	kJ/mol	466.00	NIST
ΔvapH	56.70 ± 0.40	kJ/mol	466.00	NIST
ΔvapH	53.10 ± 0.40	kJ/mol	466.00	NIST
ΔvapH	51.30 ± 0.50	kJ/mol	466.00	NIST
ΔvapH	49.40 ± 0.60	kJ/mol	466.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.47; 382.88]	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			-4.66190e+01
Coefficient B			8.64600e-01
Coefficient C			-5.92300e-04
Coefficient D			1.57200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.47	J/mol×K	273.00	Calculated Property
Cp,gas	192.09	J/mol×K	353.78	Calculated Property
Cp,gas	230.15	J/mol×K	434.56	Calculated Property
Cp,gas	263.16	J/mol×K	515.33	Calculated Property
Cp,gas	291.61	J/mol×K	596.11	Calculated Property
Cp,gas	315.99	J/mol×K	676.89	Calculated Property
Cp,gas	336.82	J/mol×K	757.67	Calculated Property
Cp,gas	354.58	J/mol×K	838.44	Calculated Property
Cp,gas	369.76	J/mol×K	919.22	Calculated Property
Cp,gas	382.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020853; 0.0003934]	Pa×s	[276.85; 504.00]	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			-9.87319e+00
Coefficient B			1.02442e+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.			276.85
Temperature range, max.			504.00
η	0.0020853	Pa×s	276.85	Calculated Property
η	0.0015307	Pa×s	302.08	Calculated Property
η	0.0011785	Pa×s	327.32	Calculated Property
η	0.0009420	Pa×s	352.56	Calculated Property
η	0.0007758	Pa×s	377.80	Calculated Property
η	0.0006546	Pa×s	403.04	Calculated Property
η	0.0005635	Pa×s	428.28	Calculated Property
η	0.0004933	Pa×s	453.52	Calculated Property
η	0.0004379	Pa×s	478.76	Calculated Property
η	0.0003934	Pa×s	504.00	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, (phenoxymethyl)-.

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).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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