Chemical Properties of Dimethylmalonic acid, 4-acetylphenyl pentadecyl ester

InChI

InChI=1S/C28H44O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-26(30)28(3,4)27(31)33-25-20-18-24(19-21-25)23(2)29/h18-21H,5-17,22H2,1-4H3

InChI Key

HDUNLWAMDYZZKU-UHFFFAOYSA-N

Formula

C28H44O5

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

460.65

• 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	1.2203		Relay (1.0) Calculated Property
ΔfG°	-306.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-1127.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.69	kJ/mol	Joback Calculated Property
ΔvapH°	129.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-7.16		Relay (1.0) Calculated Property
logPoct/wat	7.455		Crippen Calculated Property
McVol	398.070	ml/mol	McGowan Calculated Property
Pc	856.97	kPa	Joback Calculated Property
Inp	[3223.00; 3223.00]
Inp	3223.00		NIST
Inp	3223.00		NIST
Tboil	683.65	K	Relay (1.0) Calculated Property
Tc	910.87	K	Relay (1.0) Calculated Property
Tfus	335.31	K	Relay (1.0) Calculated Property
Vc	1.497	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1382.10; 1456.55]	J/mol×K	[1074.92; 1320.75]
Cp,gas	1382.10	J/mol×K	1074.92	Joback Calculated Property
Cp,gas	1398.30	J/mol×K	1115.89	Joback Calculated Property
Cp,gas	1412.85	J/mol×K	1156.86	Joback Calculated Property
Cp,gas	1425.83	J/mol×K	1197.84	Joback Calculated Property
Cp,gas	1437.38	J/mol×K	1238.81	Joback Calculated Property
Cp,gas	1447.58	J/mol×K	1279.78	Joback Calculated Property
Cp,gas	1456.55	J/mol×K	1320.75	Joback Calculated Property
η	[0.0000116; 0.0001582]	Pa×s	[640.93; 1074.92]
η	0.0001582	Pa×s	640.93	Joback Calculated Property
η	0.0000820	Pa×s	713.26	Joback Calculated Property
η	0.0000480	Pa×s	785.59	Joback Calculated Property
η	0.0000307	Pa×s	857.92	Joback Calculated Property
η	0.0000211	Pa×s	930.26	Joback Calculated Property
η	0.0000153	Pa×s	1002.59	Joback Calculated Property
η	0.0000116	Pa×s	1074.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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