Chemical Properties of Benzene, (phenoxymethyl)- (CAS 946-80-5)

InChI

InChI=1S/C13H12O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2

InChI Key

BOTNYLSAWDQNEX-UHFFFAOYSA-N

Formula

C13H12O

SMILES

c1ccc(COc2ccccc2)cc1

Molecular Weight¹

184.23

CAS

946-80-5

Other Names

• Ether, benzyl phenyl
• Anisole, «alpha»-phenyl-
• Benzyl phenyl ether
• Phenyl benzyl ether
• «alpha»-Phenylanisole
• Benzyloxybenzene
• (Phenoxymethyl)-benzene
• NSC 77971

• ω : Acentric Factor.
• 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_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).
• P_vap : Vapor pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4894		Relay (1.0) Calculated Property
ΔfH°gas	65.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.70	kJ/mol	Joback Calculated Property
ΔvapH°	69.08	kJ/mol	Relay (1.0) Calculated Property
IE	[8.31; 8.40]	eV
IE	8.31	eV	NIST
IE	8.40	eV	NIST
log10WS	-3.82		Relay (1.0) Calculated Property
logPoct/wat	3.266		Crippen Calculated Property
McVol	152.380	ml/mol	McGowan Calculated Property
Pc	3015.64	kPa	Joback Calculated Property
I	[2329.00; 2329.00]
I	2329.00		NIST
I	2329.00		NIST
Tboil	[558.00; 559.70]	K
Tboil	559.70	K	NIST
Tboil	559.50 ± 0.50	K	NIST
Tboil	558.00 ± 5.00	K	NIST
Tc	804.38	K	Relay (1.0) Calculated Property
Tfus	[313.00; 313.00]	K
Tfus	313.00	K	NIST
Tfus	313.00 ± 3.00	K	NIST
Vc	0.566	m3/kmol	Relay (1.0) Calculated Property

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Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[384.00; 397.50]	K	[0.10; 0.50]
Tboilr	384.00 ± 1.00	K	0.10	NIST
Tboilr	397.50 ± 0.50	K	0.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.15; 471.46]	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			-5.12390e+01
Coefficient B			1.01780e+00
Coefficient C			-6.34800e-04
Coefficient D			1.39700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.15	J/mol×K	273.00	Calculated Property
Cp,gas	235.57	J/mol×K	353.78	Calculated Property
Cp,gas	282.64	J/mol×K	434.56	Calculated Property
Cp,gas	323.80	J/mol×K	515.33	Calculated Property
Cp,gas	359.50	J/mol×K	596.11	Calculated Property
Cp,gas	390.17	J/mol×K	676.89	Calculated Property
Cp,gas	416.26	J/mol×K	757.67	Calculated Property
Cp,gas	438.21	J/mol×K	838.44	Calculated Property
Cp,gas	456.47	J/mol×K	919.22	Calculated Property
Cp,gas	471.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019102; 0.0001598]	Pa×s	[313.00; 569.75]	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			-1.17668e+01
Coefficient B			1.72345e+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.			313.00
Temperature range, max.			569.75
η	0.0019102	Pa×s	313.00	Calculated Property
η	0.0012060	Pa×s	341.53	Calculated Property
η	0.0008173	Pa×s	370.05	Calculated Property
η	0.0005856	Pa×s	398.58	Calculated Property
η	0.0004387	Pa×s	427.11	Calculated Property
η	0.0003408	Pa×s	455.64	Calculated Property
η	0.0002727	Pa×s	484.16	Calculated Property
η	0.0002237	Pa×s	512.69	Calculated Property
η	0.0001874	Pa×s	541.22	Calculated Property
η	0.0001598	Pa×s	569.75	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.06]	kPa	[368.60; 560.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.61531e+01
Coefficient B			-6.06962e+03
Coefficient C			-3.43700e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			368.60
Temperature range, max.			560.00
Pvap	0.13	kPa	368.60	Calculated Property
Pvap	0.40	kPa	389.87	Calculated Property
Pvap	1.04	kPa	411.13	Calculated Property
Pvap	2.47	kPa	432.40	Calculated Property
Pvap	5.35	kPa	453.67	Calculated Property
Pvap	10.76	kPa	474.93	Calculated Property
Pvap	20.30	kPa	496.20	Calculated Property
Pvap	36.20	kPa	517.47	Calculated Property
Pvap	61.49	kPa	538.73	Calculated Property
Pvap	100.06	kPa	560.00	Calculated Property

Similar Compounds

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

Sources

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

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