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

InChI

InChI=1S/C10H17ClO3/c1-7(10(2,3)4)14-9(13)6-5-8(11)12/h7H,5-6H2,1-4H3

InChI Key

PUJBLZZZGPXNRQ-UHFFFAOYSA-N

Formula

C10H17ClO3

SMILES

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

Molecular Weight¹

220.69

• 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°	20.88	kJ/mol	Joback Calculated Property
logPoct/wat	2.510		Crippen Calculated Property
McVol	173.010	ml/mol	McGowan Calculated Property
Inp	[1305.00; 1305.00]
Inp	1305.00		NIST
Inp	1305.00		NIST
Tboil	496.42	K	Relay (1.0) Calculated Property
Tfus	296.94	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	[246.51; 542.64]	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			1.33020e+01
Coefficient B			1.00958e+00
Coefficient C			-6.02300e-04
Coefficient D			1.22060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.51	J/mol×K	273.00	Calculated Property
Cp,gas	300.49	J/mol×K	353.78	Calculated Property
Cp,gas	348.30	J/mol×K	434.56	Calculated Property
Cp,gas	390.33	J/mol×K	515.33	Calculated Property
Cp,gas	426.95	J/mol×K	596.11	Calculated Property
Cp,gas	458.57	J/mol×K	676.89	Calculated Property
Cp,gas	485.56	J/mol×K	757.67	Calculated Property
Cp,gas	508.31	J/mol×K	838.44	Calculated Property
Cp,gas	527.21	J/mol×K	919.22	Calculated Property
Cp,gas	542.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053844; 0.0002283]	Pa×s	[312.06; 539.81]	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			-1.27152e+01
Coefficient B			2.33763e+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.			312.06
Temperature range, max.			539.81
η	0.0053844	Pa×s	312.06	Calculated Property
η	0.0030698	Pa×s	337.37	Calculated Property
η	0.0018929	Pa×s	362.67	Calculated Property
η	0.0012432	Pa×s	387.98	Calculated Property
η	0.0008597	Pa×s	413.28	Calculated Property
η	0.0006203	Pa×s	438.59	Calculated Property
η	0.0004638	Pa×s	463.89	Calculated Property
η	0.0003574	Pa×s	489.20	Calculated Property
η	0.0002825	Pa×s	514.50	Calculated Property
η	0.0002283	Pa×s	539.81	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, monochloride, 3,3-dimethylbut-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

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