Chemical Properties of Succinic acid, di(1-tert-butoxyprop-2-yl) ester

InChI

InChI=1S/C17H32O6/c1-9-15(23-17(6,7)8)21-14(19)11-10-13(18)20-12(2)22-16(3,4)5/h12,15H,9-11H2,1-8H3

InChI Key

GSUXOVAYUKRKIB-UHFFFAOYSA-N

Formula

C17H32O6

SMILES

CCC(OC(=O)CCC(=O)OC(C)OC(C)(C)C)OC(C)(C)C

Molecular Weight¹

332.44

• 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°	29.03	kJ/mol	Joback Calculated Property
logPoct/wat	3.565		Crippen Calculated Property
McVol	277.010	ml/mol	McGowan Calculated Property
Inp	[1934.00; 1934.00]
Inp	1934.00		NIST
Inp	1934.00		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	[426.05; 953.60]	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			3.69430e+01
Coefficient B			1.64636e+00
Coefficient C			-8.39800e-04
Coefficient D			1.10100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	426.05	J/mol×K	273.00	Calculated Property
Cp,gas	519.16	J/mol×K	353.78	Calculated Property
Cp,gas	602.83	J/mol×K	434.56	Calculated Property
Cp,gas	677.41	J/mol×K	515.33	Calculated Property
Cp,gas	743.26	J/mol×K	596.11	Calculated Property
Cp,gas	800.71	J/mol×K	676.89	Calculated Property
Cp,gas	850.13	J/mol×K	757.67	Calculated Property
Cp,gas	891.85	J/mol×K	838.44	Calculated Property
Cp,gas	926.22	J/mol×K	919.22	Calculated Property
Cp,gas	953.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016632; 0.0000411]	Pa×s	[385.31; 651.29]	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			-1.54605e+01
Coefficient B			3.49150e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			385.31
Temperature range, max.			651.29
η	0.0016632	Pa×s	385.31	Calculated Property
η	0.0008722	Pa×s	414.86	Calculated Property
η	0.0004984	Pa×s	444.42	Calculated Property
η	0.0003054	Pa×s	473.97	Calculated Property
η	0.0001982	Pa×s	503.52	Calculated Property
η	0.0001349	Pa×s	533.07	Calculated Property
η	0.0000956	Pa×s	562.63	Calculated Property
η	0.0000702	Pa×s	592.18	Calculated Property
η	0.0000530	Pa×s	621.73	Calculated Property
η	0.0000411	Pa×s	651.29	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(1-tert-butoxyprop-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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