Chemical Properties of Diethylmalonic acid, 2-formylphenyl pentadecyl ester

InChI

InChI=1S/C29H46O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-33-27(31)29(5-2,6-3)28(32)34-26-22-19-18-21-25(26)24-30/h18-19,21-22,24H,4-17,20,23H2,1-3H3

InChI Key

VBMYQRNKYXQACO-UHFFFAOYSA-N

Formula

C29H46O5

SMILES

CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C=O

Molecular Weight¹

474.68

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	68.13	kJ/mol	Joback Calculated Property
log10WS	-7.19		Relay (1.0) Calculated Property
logPoct/wat	7.845		Crippen Calculated Property
McVol	412.160	ml/mol	McGowan Calculated Property
Pc	778.94	kPa	Joback Calculated Property
Inp	[3277.00; 3277.00]
Inp	3277.00		NIST
Inp	3277.00		NIST
Tboil	692.57	K	Relay (1.0) Calculated Property
Tfus	310.27	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, 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	[1428.42; 1502.45]	J/mol×K	[1056.65; 1300.24]
Cp,gas	1428.42	J/mol×K	1056.65	Joback Calculated Property
Cp,gas	1444.81	J/mol×K	1097.25	Joback Calculated Property
Cp,gas	1459.43	J/mol×K	1137.85	Joback Calculated Property
Cp,gas	1472.38	J/mol×K	1178.44	Joback Calculated Property
Cp,gas	1483.79	J/mol×K	1219.04	Joback Calculated Property
Cp,gas	1493.78	J/mol×K	1259.64	Joback Calculated Property
Cp,gas	1502.45	J/mol×K	1300.24	Joback Calculated Property
η	[0.0000083; 0.0002125]	Pa×s	[584.61; 1056.65]
η	0.0002125	Pa×s	584.61	Joback Calculated Property
η	0.0000900	Pa×s	663.28	Joback Calculated Property
η	0.0000457	Pa×s	741.96	Joback Calculated Property
η	0.0000264	Pa×s	820.63	Joback Calculated Property
η	0.0000168	Pa×s	899.30	Joback Calculated Property
η	0.0000115	Pa×s	977.98	Joback Calculated Property
η	0.0000083	Pa×s	1056.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-formylphenyl pentadecyl 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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