Chemical Properties of Succinic acid, 3-methylbut-2-yl neopentyl ester

InChI

InChI=1S/C14H26O4/c1-10(2)11(3)18-13(16)8-7-12(15)17-9-14(4,5)6/h10-11H,7-9H2,1-6H3

InChI Key

IWLPBXSDIKXFCL-UHFFFAOYSA-N

Formula

C14H26O4

SMILES

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

Molecular Weight¹

258.36

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.29	kJ/mol	Joback Calculated Property
log10WS	-3.24		Relay (1.0) Calculated Property
logPoct/wat	2.944		Crippen Calculated Property
McVol	223.000	ml/mol	McGowan Calculated Property
Inp	[1547.00; 1547.00]
Inp	1547.00		NIST
Inp	1547.00		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 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	[333.06; 760.36]	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			1.31430e+01
Coefficient B			1.36192e+00
Coefficient C			-7.26800e-04
Coefficient D			1.12100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.06	J/mol×K	273.00	Calculated Property
Cp,gas	408.96	J/mol×K	353.78	Calculated Property
Cp,gas	476.92	J/mol×K	434.56	Calculated Property
Cp,gas	537.31	J/mol×K	515.33	Calculated Property
Cp,gas	590.48	J/mol×K	596.11	Calculated Property
Cp,gas	636.77	J/mol×K	676.89	Calculated Property
Cp,gas	676.56	J/mol×K	757.67	Calculated Property
Cp,gas	710.18	J/mol×K	838.44	Calculated Property
Cp,gas	738.00	J/mol×K	919.22	Calculated Property
Cp,gas	760.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0077012; 0.0001184]	Pa×s	[304.62; 571.38]	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			-1.38097e+01
Coefficient B			2.72430e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			304.62
Temperature range, max.			571.38
η	0.0077012	Pa×s	304.62	Calculated Property
η	0.0034846	Pa×s	334.26	Calculated Property
η	0.0017941	Pa×s	363.90	Calculated Property
η	0.0010209	Pa×s	393.54	Calculated Property
η	0.0006286	Pa×s	423.18	Calculated Property
η	0.0004125	Pa×s	452.82	Calculated Property
η	0.0002850	Pa×s	482.46	Calculated Property
η	0.0002056	Pa×s	512.10	Calculated Property
η	0.0001536	Pa×s	541.74	Calculated Property
η	0.0001184	Pa×s	571.38	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl neopentyl 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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