Chemical Properties of Dimethylmalonic acid, 2-naphthylmethyl octyl ester

InChI

InChI=1S/C24H32O4/c1-4-5-6-7-8-11-16-27-22(25)24(2,3)23(26)28-18-19-14-15-20-12-9-10-13-21(20)17-19/h9-10,12-15,17H,4-8,11,16,18H2,1-3H3

InChI Key

FYJIJNLOGIVGHU-UHFFFAOYSA-N

Formula

C24H32O4

SMILES

CCCCCCCCOC(=O)C(C)(C)C(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

384.51

• 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	0.9619		Relay (1.0) Calculated Property
ΔfusH°	49.91	kJ/mol	Joback Calculated Property
log10WS	-6.15		Relay (1.0) Calculated Property
logPoct/wat	5.813		Crippen Calculated Property
McVol	320.680	ml/mol	McGowan Calculated Property
Pc	1163.25	kPa	Joback Calculated Property
Inp	[2842.00; 2842.00]
Inp	2842.00		NIST
Inp	2842.00		NIST
Tboil	684.71	K	Relay (1.0) Calculated Property
Tc	929.69	K	Relay (1.0) Calculated Property
Tfus	304.29	K	Relay (1.0) Calculated Property
Vc	1.193	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	[1027.15; 1103.60]	J/mol×K	[912.57; 1127.40]
Cp,gas	1027.15	J/mol×K	912.57	Joback Calculated Property
Cp,gas	1042.64	J/mol×K	948.38	Joback Calculated Property
Cp,gas	1056.91	J/mol×K	984.18	Joback Calculated Property
Cp,gas	1070.05	J/mol×K	1019.99	Joback Calculated Property
Cp,gas	1082.16	J/mol×K	1055.79	Joback Calculated Property
Cp,gas	1093.31	J/mol×K	1091.60	Joback Calculated Property
Cp,gas	1103.60	J/mol×K	1127.40	Joback Calculated Property
η	[0.0000367; 0.0005578]	Pa×s	[518.96; 912.57]
η	0.0005578	Pa×s	518.96	Joback Calculated Property
η	0.0002747	Pa×s	584.56	Joback Calculated Property
η	0.0001561	Pa×s	650.16	Joback Calculated Property
η	0.0000984	Pa×s	715.76	Joback Calculated Property
η	0.0000670	Pa×s	781.37	Joback Calculated Property
η	0.0000484	Pa×s	846.97	Joback Calculated Property
η	0.0000367	Pa×s	912.57	Joback Calculated Property

Similar Compounds

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

Sources

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

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