Chemical Properties of Diethylmalonic acid, heptyl 1-naphthyl ester

InChI

InChI=1S/C24H32O4/c1-4-7-8-9-12-18-27-22(25)24(5-2,6-3)23(26)28-21-17-13-15-19-14-10-11-16-20(19)21/h10-11,13-17H,4-9,12,18H2,1-3H3

InChI Key

ZDBPLWNQZAEHHZ-UHFFFAOYSA-N

Formula

C24H32O4

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc2ccccc12

Molecular Weight¹

384.51

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.91	kJ/mol	Joback Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-5.95		Relay (1.0) Calculated Property
logPoct/wat	6.065		Crippen Calculated Property
McVol	320.680	ml/mol	McGowan Calculated Property
Pc	1163.25	kPa	Joback Calculated Property
Inp	[2713.00; 2713.00]
Inp	2713.00		NIST
Inp	2713.00		NIST
Tboil	681.53	K	Relay (1.0) Calculated Property
Tfus	323.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 Diethylmalonic acid, heptyl 1-naphthyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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