Chemical Properties of Succinic acid, monochloride, 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C11H19ClO3/c1-7(2)11(8(3)4)15-10(14)6-5-9(12)13/h7-8,11H,5-6H2,1-4H3

InChI Key

LQAKEJMUFGKWGB-UHFFFAOYSA-N

Formula

C11H19ClO3

SMILES

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

Molecular Weight¹

234.72

• 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.
• 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°	23.84	kJ/mol	Joback Calculated Property
logPoct/wat	2.756		Crippen Calculated Property
McVol	187.100	ml/mol	McGowan Calculated Property
Inp	[1431.00; 1431.00]
Inp	1431.00		NIST
Inp	1431.00		NIST
Tboil	516.41	K	Relay (1.0) Calculated Property
Tfus	255.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[268.56; 593.84]	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			3.35020e+01
Coefficient B			9.90580e-01
Coefficient C			-4.91300e-04
Coefficient D			6.10600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.56	J/mol×K	273.00	Calculated Property
Cp,gas	325.16	J/mol×K	353.78	Calculated Property
Cp,gas	376.20	J/mol×K	434.56	Calculated Property
Cp,gas	421.86	J/mol×K	515.33	Calculated Property
Cp,gas	462.35	J/mol×K	596.11	Calculated Property
Cp,gas	497.85	J/mol×K	676.89	Calculated Property
Cp,gas	528.55	J/mol×K	757.67	Calculated Property
Cp,gas	554.66	J/mol×K	838.44	Calculated Property
Cp,gas	576.36	J/mol×K	919.22	Calculated Property
Cp,gas	593.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082778; 0.0002051]	Pa×s	[290.91; 553.61]	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			-1.25866e+01
Coefficient B			2.26689e+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.			290.91
Temperature range, max.			553.61
η	0.0082778	Pa×s	290.91	Calculated Property
η	0.0040674	Pa×s	320.10	Calculated Property
η	0.0022506	Pa×s	349.29	Calculated Property
η	0.0013643	Pa×s	378.48	Calculated Property
η	0.0008885	Pa×s	407.67	Calculated Property
η	0.0006128	Pa×s	436.85	Calculated Property
η	0.0004428	Pa×s	466.04	Calculated Property
η	0.0003324	Pa×s	495.23	Calculated Property
η	0.0002576	Pa×s	524.42	Calculated Property
η	0.0002051	Pa×s	553.61	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, monochloride, 2,4-dimethylpent-3-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

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