Chemical Properties of Dimethylmalonic acid, 4-acetylphenyl hexadecyl ester

InChI

InChI=1S/C29H46O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-27(31)29(3,4)28(32)34-26-21-19-25(20-22-26)24(2)30/h19-22H,5-18,23H2,1-4H3

InChI Key

DZXPBZNSTRTGAJ-UHFFFAOYSA-N

Formula

C29H46O5

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

474.67

• 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	1.2562		Relay (1.0) Calculated Property
ΔfG°	-297.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1148.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.28	kJ/mol	Joback Calculated Property
ΔvapH°	133.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-7.43		Relay (1.0) Calculated Property
logPoct/wat	7.845		Crippen Calculated Property
McVol	412.160	ml/mol	McGowan Calculated Property
Pc	810.76	kPa	Joback Calculated Property
Inp	[3326.00; 3326.00]
Inp	3326.00		NIST
Inp	3326.00		NIST
Tboil	690.36	K	Relay (1.0) Calculated Property
Tc	917.11	K	Relay (1.0) Calculated Property
Tfus	337.23	K	Relay (1.0) Calculated Property
Vc	1.552	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1444.93; 1520.29]	J/mol×K	[1097.80; 1352.87]
Cp,gas	1444.93	J/mol×K	1097.80	Joback Calculated Property
Cp,gas	1461.49	J/mol×K	1140.31	Joback Calculated Property
Cp,gas	1476.29	J/mol×K	1182.82	Joback Calculated Property
Cp,gas	1489.45	J/mol×K	1225.33	Joback Calculated Property
Cp,gas	1501.08	J/mol×K	1267.84	Joback Calculated Property
Cp,gas	1511.32	J/mol×K	1310.35	Joback Calculated Property
Cp,gas	1520.29	J/mol×K	1352.87	Joback Calculated Property
η	[0.0000098; 0.0001380]	Pa×s	[652.20; 1097.80]
η	0.0001380	Pa×s	652.20	Joback Calculated Property
η	0.0000709	Pa×s	726.47	Joback Calculated Property
η	0.0000412	Pa×s	800.73	Joback Calculated Property
η	0.0000263	Pa×s	875.00	Joback Calculated Property
η	0.0000180	Pa×s	949.27	Joback Calculated Property
η	0.0000130	Pa×s	1023.53	Joback Calculated Property
η	0.0000098	Pa×s	1097.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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