Chemical Properties of Dimethylmalonic acid, 4-acetylphenyl undecyl ester

InChI

InChI=1S/C24H36O5/c1-5-6-7-8-9-10-11-12-13-18-28-22(26)24(3,4)23(27)29-21-16-14-20(15-17-21)19(2)25/h14-17H,5-13,18H2,1-4H3

InChI Key

LLIAVONMTPUTQN-UHFFFAOYSA-N

Formula

C24H36O5

SMILES

CCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

404.54

• 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	1.0747		Relay (1.0) Calculated Property
ΔfG°	-339.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1043.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.33	kJ/mol	Joback Calculated Property
ΔvapH°	113.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-6.04		Relay (1.0) Calculated Property
logPoct/wat	5.895		Crippen Calculated Property
McVol	341.710	ml/mol	McGowan Calculated Property
Pc	1087.78	kPa	Joback Calculated Property
Inp	[2813.00; 2813.00]
Inp	2813.00		NIST
Inp	2813.00		NIST
Tboil	656.15	K	Relay (1.0) Calculated Property
Tc	884.80	K	Relay (1.0) Calculated Property
Tfus	329.55	K	Relay (1.0) Calculated Property
Vc	1.279	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1134.49; 1206.28]	J/mol×K	[983.40; 1204.63]
Cp,gas	1134.49	J/mol×K	983.40	Joback Calculated Property
Cp,gas	1149.62	J/mol×K	1020.27	Joback Calculated Property
Cp,gas	1163.40	J/mol×K	1057.14	Joback Calculated Property
Cp,gas	1175.89	J/mol×K	1094.02	Joback Calculated Property
Cp,gas	1187.16	J/mol×K	1130.89	Joback Calculated Property
Cp,gas	1197.27	J/mol×K	1167.76	Joback Calculated Property
Cp,gas	1206.28	J/mol×K	1204.63	Joback Calculated Property
η	[0.0000220; 0.0002672]	Pa×s	[595.85; 983.40]
η	0.0002672	Pa×s	595.85	Joback Calculated Property
η	0.0001438	Pa×s	660.44	Joback Calculated Property
η	0.0000864	Pa×s	725.03	Joback Calculated Property
η	0.0000564	Pa×s	789.62	Joback Calculated Property
η	0.0000393	Pa×s	854.22	Joback Calculated Property
η	0.0000288	Pa×s	918.81	Joback Calculated Property
η	0.0000220	Pa×s	983.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 4-acetylphenyl undecyl ester.

Sources

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

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