Chemical Properties of Dimethylmalonic acid, 2-naphthylmethyl propyl ester

InChI

InChI=1S/C19H22O4/c1-4-11-22-17(20)19(2,3)18(21)23-13-14-9-10-15-7-5-6-8-16(15)12-14/h5-10,12H,4,11,13H2,1-3H3

InChI Key

XMMQASJHRMLRBX-UHFFFAOYSA-N

Formula

C19H22O4

SMILES

CCCOC(=O)C(C)(C)C(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

314.38

• 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).
• 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	0.7548		Relay (1.0) Calculated Property
ΔfusH°	36.96	kJ/mol	Joback Calculated Property
ΔvapH°	96.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	3.862		Crippen Calculated Property
McVol	250.230	ml/mol	McGowan Calculated Property
Pc	1663.26	kPa	Joback Calculated Property
Inp	[2366.00; 2366.00]
Inp	2366.00		NIST
Inp	2366.00		NIST
Tboil	648.72	K	Relay (1.0) Calculated Property
Tc	890.54	K	Relay (1.0) Calculated Property
Tfus	310.99	K	Relay (1.0) Calculated Property
Vc	0.922	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[737.01; 809.38]	J/mol×K	[798.17; 1017.69]
Cp,gas	737.01	J/mol×K	798.17	Joback Calculated Property
Cp,gas	751.88	J/mol×K	834.76	Joback Calculated Property
Cp,gas	765.52	J/mol×K	871.34	Joback Calculated Property
Cp,gas	778.02	J/mol×K	907.93	Joback Calculated Property
Cp,gas	789.45	J/mol×K	944.51	Joback Calculated Property
Cp,gas	799.87	J/mol×K	981.10	Joback Calculated Property
Cp,gas	809.38	J/mol×K	1017.69	Joback Calculated Property
η	[0.0000752; 0.0009615]	Pa×s	[462.61; 798.17]
η	0.0009615	Pa×s	462.61	Joback Calculated Property
η	0.0005001	Pa×s	518.54	Joback Calculated Property
η	0.0002954	Pa×s	574.46	Joback Calculated Property
η	0.0001916	Pa×s	630.39	Joback Calculated Property
η	0.0001333	Pa×s	686.32	Joback Calculated Property
η	0.0000980	Pa×s	742.24	Joback Calculated Property
η	0.0000752	Pa×s	798.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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