Chemical Properties of Dimethylmalonic acid, 3-ethylphenyl pentyl ester

InChI

InChI=1S/C18H26O4/c1-5-7-8-12-21-16(19)18(3,4)17(20)22-15-11-9-10-14(6-2)13-15/h9-11,13H,5-8,12H2,1-4H3

InChI Key

UZZLPXGJLBQDDS-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCCCOC(=O)C(C)(C)C(=O)Oc1cccc(CC)c1

Molecular Weight¹

306.40

• 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°	37.35	kJ/mol	Joback Calculated Property
log10WS	-4.63		Relay (1.0) Calculated Property
logPoct/wat	3.914		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Pc	1478.15	kPa	Joback Calculated Property
Inp	[2076.00; 2076.00]
Inp	2076.00		NIST
Inp	2076.00		NIST
Tboil	591.28	K	Relay (1.0) Calculated Property
Tfus	257.25	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.84; 844.08]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.73500e+00
Coefficient B			1.59168e+00
Coefficient C			-9.02160e-04
Coefficient D			1.61300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.84	J/mol×K	273.00	Calculated Property
Cp,gas	450.59	J/mol×K	353.78	Calculated Property
Cp,gas	527.81	J/mol×K	434.56	Calculated Property
Cp,gas	596.00	J/mol×K	515.33	Calculated Property
Cp,gas	655.67	J/mol×K	596.11	Calculated Property
Cp,gas	707.33	J/mol×K	676.89	Calculated Property
Cp,gas	751.49	J/mol×K	757.67	Calculated Property
Cp,gas	788.66	J/mol×K	838.44	Calculated Property
Cp,gas	819.36	J/mol×K	919.22	Calculated Property
Cp,gas	844.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011440; 0.0000767]	Pa×s	[418.64; 671.15]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.39571e+01
Coefficient B			3.00746e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			418.64
Temperature range, max.			671.15
η	0.0011440	Pa×s	418.64	Calculated Property
η	0.0007286	Pa×s	446.70	Calculated Property
η	0.0004894	Pa×s	474.75	Calculated Property
η	0.0003437	Pa×s	502.81	Calculated Property
η	0.0002505	Pa×s	530.87	Calculated Property
η	0.0001885	Pa×s	558.93	Calculated Property
η	0.0001458	Pa×s	586.98	Calculated Property
η	0.0001154	Pa×s	615.04	Calculated Property
η	0.0000932	Pa×s	643.10	Calculated Property
η	0.0000767	Pa×s	671.15	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 3-ethylphenyl pentyl ester.

Sources

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

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