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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	178.40	kJ/mol	Joback Calculated Property
ΔfH°gas	29.19	kJ/mol	Joback Calculated Property
ΔfusH°	18.70	kJ/mol	Joback Calculated Property
ΔvapH°	51.49	kJ/mol	Joback Calculated Property
IE	[8.31; 8.40]	eV
IE	8.31	eV	NIST
IE	8.40	eV	NIST
log10WS	-3.70		Crippen 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	813.64	K	Joback 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	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.66; 431.89]	J/mol×K	[572.62; 813.64]
Cp,gas	349.66	J/mol×K	572.62	Joback Calculated Property
Cp,gas	366.23	J/mol×K	612.79	Joback Calculated Property
Cp,gas	381.58	J/mol×K	652.96	Joback Calculated Property
Cp,gas	395.77	J/mol×K	693.13	Joback Calculated Property
Cp,gas	408.85	J/mol×K	733.30	Joback Calculated Property
Cp,gas	420.87	J/mol×K	773.47	Joback Calculated Property
Cp,gas	431.89	J/mol×K	813.64	Joback Calculated Property
η	[0.0001574; 0.0019671]	Pa×s	[311.34; 572.62]
η	0.0019671	Pa×s	311.34	Joback Calculated Property
η	0.0009973	Pa×s	354.89	Joback Calculated Property
η	0.0005866	Pa×s	398.43	Joback Calculated Property
η	0.0003830	Pa×s	441.98	Joback Calculated Property
η	0.0002700	Pa×s	485.53	Joback Calculated Property
η	0.0002016	Pa×s	529.07	Joback Calculated Property
η	0.0001574	Pa×s	572.62	Joback Calculated Property
ΔvapH	58.80	kJ/mol	464.00	NIST

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

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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