Chemical Properties of Diphenyl ether, 4-methoxycarbonyl-3,4'-dimethyl

InChI

InChI=1S/C16H16O3/c1-11-4-6-13(7-5-11)19-14-8-9-15(12(2)10-14)16(17)18-3/h4-10H,1-3H3

InChI Key

MITYULWCGWMCNF-UHFFFAOYSA-N

Formula

C16H16O3

SMILES

COC(=O)c1ccc(Oc2ccc(C)cc2)cc1C

Molecular Weight¹

256.30

• 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).
• 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_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-385.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.67	kJ/mol	Joback Calculated Property
IE	7.71	eV	Relay (1.0) Calculated Property
log10WS	-4.89		Relay (1.0) Calculated Property
logPoct/wat	3.882		Crippen Calculated Property
McVol	202.090	ml/mol	McGowan Calculated Property
Pc	2165.35	kPa	Joback Calculated Property
Inp	[2038.00; 2073.00]
Inp	2038.00		NIST
Inp	2052.00		NIST
Inp	2059.00		NIST
Inp	2066.00		NIST
Inp	2073.00		NIST
Tboil	619.57	K	Relay (1.0) Calculated Property
Tfus	319.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.08; 613.36]	J/mol×K	[714.62; 945.15]
Cp,gas	538.08	J/mol×K	714.62	Joback Calculated Property
Cp,gas	553.55	J/mol×K	753.04	Joback Calculated Property
Cp,gas	567.84	J/mol×K	791.46	Joback Calculated Property
Cp,gas	580.95	J/mol×K	829.88	Joback Calculated Property
Cp,gas	592.89	J/mol×K	868.31	Joback Calculated Property
Cp,gas	603.69	J/mol×K	906.73	Joback Calculated Property
Cp,gas	613.36	J/mol×K	945.15	Joback Calculated Property
η	[0.0000843; 0.0007143]	Pa×s	[425.04; 714.62]
η	0.0007143	Pa×s	425.04	Joback Calculated Property
η	0.0004172	Pa×s	473.30	Joback Calculated Property
η	0.0002691	Pa×s	521.57	Joback Calculated Property
η	0.0001870	Pa×s	569.83	Joback Calculated Property
η	0.0001375	Pa×s	618.09	Joback Calculated Property
η	0.0001058	Pa×s	666.36	Joback Calculated Property
η	0.0000843	Pa×s	714.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diphenyl ether, 4-methoxycarbonyl-3,4'-dimethyl.

Sources

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

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