Chemical Properties of Diethylmalonic acid, monochloride, 1-tert-butyloxyprop-2-yl ester

InChI

InChI=1S/C14H25ClO4/c1-7-14(8-2,11(15)16)12(17)19-10(3)9-18-13(4,5)6/h10H,7-9H2,1-6H3

InChI Key

UMZFDHWCGMNJNK-UHFFFAOYSA-N

Formula

C14H25ClO4

SMILES

CCC(CC)(C(=O)Cl)C(=O)OC(C)COC(C)(C)C

Molecular Weight¹

292.80

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.02	kJ/mol	Joback Calculated Property
logPoct/wat	3.305		Crippen Calculated Property
McVol	235.240	ml/mol	McGowan Calculated Property
Inp	[1583.00; 1583.00]
Inp	1583.00		NIST
Inp	1583.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[345.31; 768.97]	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			1.06930e+01
Coefficient B			1.45222e+00
Coefficient C			-8.80700e-04
Coefficient D			1.86760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.31	J/mol×K	273.00	Calculated Property
Cp,gas	422.50	J/mol×K	353.78	Calculated Property
Cp,gas	490.78	J/mol×K	434.56	Calculated Property
Cp,gas	550.74	J/mol×K	515.33	Calculated Property
Cp,gas	602.98	J/mol×K	596.11	Calculated Property
Cp,gas	648.09	J/mol×K	676.89	Calculated Property
Cp,gas	686.65	J/mol×K	757.67	Calculated Property
Cp,gas	719.26	J/mol×K	838.44	Calculated Property
Cp,gas	746.50	J/mol×K	919.22	Calculated Property
Cp,gas	768.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022669; 0.0001053]	Pa×s	[381.79; 616.60]	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			-1.41485e+01
Coefficient B			3.07690e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			381.79
Temperature range, max.			616.60
η	0.0022669	Pa×s	381.79	Calculated Property
η	0.0013538	Pa×s	407.88	Calculated Property
η	0.0008602	Pa×s	433.97	Calculated Property
η	0.0005754	Pa×s	460.06	Calculated Property
η	0.0004019	Pa×s	486.15	Calculated Property
η	0.0002911	Pa×s	512.24	Calculated Property
η	0.0002176	Pa×s	538.33	Calculated Property
η	0.0001671	Pa×s	564.42	Calculated Property
η	0.0001313	Pa×s	590.51	Calculated Property
η	0.0001053	Pa×s	616.60	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 1-tert-butyloxyprop-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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