Chemical Properties of Diethylmalonic acid, 4-bromo-2-methoxyphenyl tetradecyl ester

InChI

InChI=1S/C28H45BrO5/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-33-26(30)28(6-2,7-3)27(31)34-24-20-19-23(29)22-25(24)32-4/h19-20,22H,5-18,21H2,1-4H3

InChI Key

KZUJTJXKNPIKII-UHFFFAOYSA-N

Formula

C28H45BrO5

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Br)cc1OC

Molecular Weight¹

541.56

• ω : Acentric Factor.
• 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).
• 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_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	1.2355		Relay (... Calculated Property
ΔfG°	-277.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1081.15	kJ/mol	Relay (... Calculated Property
ΔfusH°	66.17	kJ/mol	Joback Calculated Property
ΔvapH°	135.16	kJ/mol	Relay (... Calculated Property
IE	8.41	eV	Relay (... Calculated Property
log10WS	-7.96		Relay (... Calculated Property
logPoct/wat	8.414		Crippen Calculated Property
McVol	419.870	ml/mol	McGowan Calculated Property
Pc	844.07	kPa	Joback Calculated Property
Inp	[3326.00; 3326.00]
Inp	3326.00		NIST
Inp	3326.00		NIST
Tboil	711.23	K	Relay (... Calculated Property
Tc	925.98	K	Relay (... Calculated Property
Tfus	345.84	K	Relay (... Calculated Property
Vc	1.523	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1434.10; 1500.59]	J/mol×K	[1114.61; 1373.14]
Cp,gas	1434.10	J/mol×K	1114.61	Joback Calculated Property
Cp,gas	1449.48	J/mol×K	1157.70	Joback Calculated Property
Cp,gas	1463.00	J/mol×K	1200.79	Joback Calculated Property
Cp,gas	1474.76	J/mol×K	1243.88	Joback Calculated Property
Cp,gas	1484.88	J/mol×K	1286.96	Joback Calculated Property
Cp,gas	1493.45	J/mol×K	1330.05	Joback Calculated Property
Cp,gas	1500.59	J/mol×K	1373.14	Joback Calculated Property
η	[0.0000068; 0.0000740]	Pa×s	[685.55; 1114.61]
η	0.0000740	Pa×s	685.55	Joback Calculated Property
η	0.0000412	Pa×s	757.06	Joback Calculated Property
η	0.0000253	Pa×s	828.57	Joback Calculated Property
η	0.0000168	Pa×s	900.08	Joback Calculated Property
η	0.0000119	Pa×s	971.59	Joback Calculated Property
η	0.0000088	Pa×s	1043.10	Joback Calculated Property
η	0.0000068	Pa×s	1114.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl tetradecyl ester.

Sources

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

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