Chemical Properties of Diethylmalonic acid, heptadecyl 3-methylphenyl ester

InChI

InChI=1S/C31H52O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-29(32)31(6-2,7-3)30(33)35-28-24-22-23-27(4)26-28/h22-24,26H,5-21,25H2,1-4H3

InChI Key

XWMBFTLXJVNJQH-UHFFFAOYSA-N

Formula

C31H52O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1

Molecular Weight¹

488.74

• 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	1.2641		Relay (1.0) Calculated Property
ΔfG°	-152.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1045.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.86	kJ/mol	Joback Calculated Property
ΔvapH°	139.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-8.34		Relay (1.0) Calculated Property
logPoct/wat	9.121		Crippen Calculated Property
McVol	438.770	ml/mol	McGowan Calculated Property
Pc	704.71	kPa	Joback Calculated Property
Inp	[3255.00; 3255.00]
Inp	3255.00		NIST
Inp	3255.00		NIST
Tboil	699.10	K	Relay (1.0) Calculated Property
Tc	911.07	K	Relay (1.0) Calculated Property
Tfus	321.84	K	Relay (1.0) Calculated Property
Vc	1.624	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1561.03; 1652.77]	J/mol×K	[1089.69; 1347.99]
Cp,gas	1561.03	J/mol×K	1089.69	Joback Calculated Property
Cp,gas	1580.57	J/mol×K	1132.74	Joback Calculated Property
Cp,gas	1598.22	J/mol×K	1175.79	Joback Calculated Property
Cp,gas	1614.12	J/mol×K	1218.84	Joback Calculated Property
Cp,gas	1628.42	J/mol×K	1261.89	Joback Calculated Property
Cp,gas	1641.25	J/mol×K	1304.94	Joback Calculated Property
Cp,gas	1652.77	J/mol×K	1347.99	Joback Calculated Property
η	[0.0000077; 0.0001346]	Pa×s	[624.81; 1089.69]
η	0.0001346	Pa×s	624.81	Joback Calculated Property
η	0.0000642	Pa×s	702.29	Joback Calculated Property
η	0.0000355	Pa×s	779.77	Joback Calculated Property
η	0.0000219	Pa×s	857.25	Joback Calculated Property
η	0.0000146	Pa×s	934.73	Joback Calculated Property
η	0.0000103	Pa×s	1012.21	Joback Calculated Property
η	0.0000077	Pa×s	1089.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptadecyl 3-methylphenyl ester.

Sources

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

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