Chemical Properties of o-Allyl oo-tert-butylsuccinate

InChI

InChI=1S/C11H18O5/c1-5-8-14-9(12)6-7-10(13)15-16-11(2,3)4/h5H,1,6-8H2,2-4H3

InChI Key

QPPROZHNOJODIC-UHFFFAOYSA-N

Formula

C11H18O5

SMILES

C=CCOC(=O)CCC(=O)OOC(C)(C)C

Molecular Weight¹

230.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[275.64; 594.50]	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			4.17430e+01
Coefficient B			9.81860e-01
Coefficient C			-4.69100e-04
Coefficient D			4.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.64	J/mol×K	273.00	Calculated Property
Cp,gas	332.16	J/mol×K	353.78	Calculated Property
Cp,gas	383.11	J/mol×K	434.56	Calculated Property
Cp,gas	428.62	J/mol×K	515.33	Calculated Property
Cp,gas	468.82	J/mol×K	596.11	Calculated Property
Cp,gas	503.83	J/mol×K	676.89	Calculated Property
Cp,gas	533.77	J/mol×K	757.67	Calculated Property
Cp,gas	558.78	J/mol×K	838.44	Calculated Property
Cp,gas	578.98	J/mol×K	919.22	Calculated Property
Cp,gas	594.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031299; 0.0001501]	Pa×s	[321.28; 537.94]	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			-1.33088e+01
Coefficient B			2.42311e+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.			321.28
Temperature range, max.			537.94
η	0.0031299	Pa×s	321.28	Calculated Property
η	0.0018502	Pa×s	345.35	Calculated Property
η	0.0011712	Pa×s	369.43	Calculated Property
η	0.0007841	Pa×s	393.50	Calculated Property
η	0.0005498	Pa×s	417.57	Calculated Property
η	0.0004007	Pa×s	441.65	Calculated Property
η	0.0003018	Pa×s	465.72	Calculated Property
η	0.0002337	Pa×s	489.80	Calculated Property
η	0.0001853	Pa×s	513.87	Calculated Property
η	0.0001501	Pa×s	537.94	Calculated Property

Similar Compounds

Find more compounds similar to o-Allyl oo-tert-butylsuccinate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.