Chemical Properties of Benzene, 1-methyl-3-phenoxy- (CAS 3586-14-9)

InChI

InChI=1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3

InChI Key

UDONPJKEOAWFGI-UHFFFAOYSA-N

Formula

C13H12O

SMILES

Cc1cccc(Oc2ccccc2)c1

Molecular Weight¹

184.23

CAS

3586-14-9

Other Names

• Ether, phenyl m-tolyl
• m-Methylphenyl phenyl ether
• m-Phenoxytoluene
• Phenyl m-tolyl ether
• 1-Methyl-3-phenoxybenzene
• 3-Methylphenyl phenyl ether
• 3-Phenoxytoluene
• 3-Methyldiphenyl ether
• Phenyl 3-tolyl ether

• 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).
• 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_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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°	168.77	kJ/mol	Joback Calculated Property
ΔfH°gas	17.72	kJ/mol	Joback Calculated Property
ΔfusH°	18.31	kJ/mol	Joback Calculated Property
ΔvapH°	52.16	kJ/mol	Joback Calculated Property
log10WS	-3.58		Crippen Calculated Property
logPoct/wat	3.787		Crippen Calculated Property
McVol	152.380	ml/mol	McGowan Calculated Property
Pc	2966.57	kPa	Joback Calculated Property
Inp	[259.00; 259.00]
Inp	259.00		NIST
Inp	259.00		NIST
Tboil	[545.00; 545.20]	K
Tboil	545.20	K	NIST
Tboil	545.00 ± 1.00	K	NIST
Tc	819.70	K	Joback Calculated Property
Tfus	323.86	K	Joback Calculated Property
Vc	0.566	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.29; 430.34]	J/mol×K	[577.60; 819.70]
Cp,gas	349.29	J/mol×K	577.60	Joback Calculated Property
Cp,gas	365.54	J/mol×K	617.95	Joback Calculated Property
Cp,gas	380.63	J/mol×K	658.30	Joback Calculated Property
Cp,gas	394.61	J/mol×K	698.65	Joback Calculated Property
Cp,gas	407.52	J/mol×K	739.00	Joback Calculated Property
Cp,gas	419.42	J/mol×K	779.35	Joback Calculated Property
Cp,gas	430.34	J/mol×K	819.70	Joback Calculated Property
η	[0.0001541; 0.0014893]	Pa×s	[323.86; 577.60]
η	0.0014893	Pa×s	323.86	Joback Calculated Property
η	0.0008203	Pa×s	366.15	Joback Calculated Property
η	0.0005112	Pa×s	408.44	Joback Calculated Property
η	0.0003482	Pa×s	450.73	Joback Calculated Property
η	0.0002533	Pa×s	493.02	Joback Calculated Property
η	0.0001937	Pa×s	535.31	Joback Calculated Property
η	0.0001541	Pa×s	577.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-3-phenoxy-.

Sources

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

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