Chemical Properties of Dimethylmalonic acid, 2-naphthylmethyl undecyl ester

InChI

InChI=1S/C27H38O4/c1-4-5-6-7-8-9-10-11-14-19-30-25(28)27(2,3)26(29)31-21-22-17-18-23-15-12-13-16-24(23)20-22/h12-13,15-18,20H,4-11,14,19,21H2,1-3H3

InChI Key

DJDLAYOCZLKEHD-UHFFFAOYSA-N

Formula

C27H38O4

SMILES

CCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

426.59

• 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	1.0827		Relay (1.0) Calculated Property
ΔfusH°	57.68	kJ/mol	Joback Calculated Property
log10WS	-7.06		Relay (1.0) Calculated Property
logPoct/wat	6.983		Crippen Calculated Property
McVol	362.950	ml/mol	McGowan Calculated Property
Pc	964.47	kPa	Joback Calculated Property
Inp	[3147.00; 3147.00]
Inp	3147.00		NIST
Inp	3147.00		NIST
Tboil	705.50	K	Relay (1.0) Calculated Property
Tc	949.27	K	Relay (1.0) Calculated Property
Tfus	308.28	K	Relay (1.0) Calculated Property
Vc	1.356	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	[1209.28; 1288.83]	J/mol×K	[981.21; 1202.52]
Cp,gas	1209.28	J/mol×K	981.21	Joback Calculated Property
Cp,gas	1225.33	J/mol×K	1018.10	Joback Calculated Property
Cp,gas	1240.12	J/mol×K	1054.98	Joback Calculated Property
Cp,gas	1253.76	J/mol×K	1091.87	Joback Calculated Property
Cp,gas	1266.35	J/mol×K	1128.75	Joback Calculated Property
Cp,gas	1278.01	J/mol×K	1165.64	Joback Calculated Property
Cp,gas	1288.83	J/mol×K	1202.52	Joback Calculated Property
η	[0.0000232; 0.0003860]	Pa×s	[552.77; 981.21]
η	0.0003860	Pa×s	552.77	Joback Calculated Property
η	0.0001849	Pa×s	624.18	Joback Calculated Property
η	0.0001030	Pa×s	695.58	Joback Calculated Property
η	0.0000640	Pa×s	766.99	Joback Calculated Property
η	0.0000431	Pa×s	838.40	Joback Calculated Property
η	0.0000309	Pa×s	909.80	Joback Calculated Property
η	0.0000232	Pa×s	981.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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