Chemical Properties of Dimethylmalonic acid, 2-naphthylmethyl nonyl ester

InChI

InChI=1S/C25H34O4/c1-4-5-6-7-8-9-12-17-28-23(26)25(2,3)24(27)29-19-20-15-16-21-13-10-11-14-22(21)18-20/h10-11,13-16,18H,4-9,12,17,19H2,1-3H3

InChI Key

NABPRQQIUPHGRX-UHFFFAOYSA-N

Formula

C25H34O4

SMILES

CCCCCCCCCOC(=O)C(C)(C)C(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

398.54

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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	1.0023		Relay (1.0) Calculated Property
ΔfusH°	49.34	kJ/mol	Joback Calculated Property
log10WS	-6.46		Relay (1.0) Calculated Property
logPoct/wat	6.203		Crippen Calculated Property
McVol	334.770	ml/mol	McGowan Calculated Property
Pc	1152.22	kPa	Joback Calculated Property
Inp	[2934.00; 2934.00]
Inp	2934.00		NIST
Inp	2934.00		NIST
Tboil	691.71	K	Relay (1.0) Calculated Property
Tc	934.30	K	Relay (1.0) Calculated Property
Tfus	313.21	K	Relay (1.0) Calculated Property
Vc	1.245	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1100.96; 1180.90]	J/mol×K	[971.39; 1193.44]
Cp,gas	1100.96	J/mol×K	971.39	Joback Calculated Property
Cp,gas	1116.74	J/mol×K	1008.40	Joback Calculated Property
Cp,gas	1131.41	J/mol×K	1045.41	Joback Calculated Property
Cp,gas	1145.07	J/mol×K	1082.41	Joback Calculated Property
Cp,gas	1157.80	J/mol×K	1119.42	Joback Calculated Property
Cp,gas	1169.72	J/mol×K	1156.43	Joback Calculated Property
Cp,gas	1180.90	J/mol×K	1193.44	Joback Calculated Property
η	[0.0000419; 0.0003833]	Pa×s	[589.89; 971.39]
η	0.0003833	Pa×s	589.89	Joback Calculated Property
η	0.0002215	Pa×s	653.47	Joback Calculated Property
η	0.0001410	Pa×s	717.06	Joback Calculated Property
η	0.0000967	Pa×s	780.64	Joback Calculated Property
η	0.0000701	Pa×s	844.22	Joback Calculated Property
η	0.0000532	Pa×s	907.81	Joback Calculated Property
η	0.0000419	Pa×s	971.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-naphthylmethyl nonyl ester.

Sources

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

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