Chemical Properties of Diisobutyl sulfite (CAS 18748-27-1)

InChI

InChI=1S/C8H18O3S/c1-7(2)5-10-12(9)11-6-8(3)4/h7-8H,5-6H2,1-4H3

InChI Key

SYKANJDVMZPZMM-UHFFFAOYSA-N

Formula

C8H18O3S

SMILES

CC(C)COS(=O)OCC(C)C

Molecular Weight¹

194.30

CAS

18748-27-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : 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).
• P_vap : Vapor pressure (kPa).
• 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	[238.63; 518.04]	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			6.96720e+01
Coefficient B			6.63270e-01
Coefficient C			-1.42900e-04
Coefficient D			-7.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.63	J/mol×K	273.00	Calculated Property
Cp,gas	283.25	J/mol×K	353.78	Calculated Property
Cp,gas	325.01	J/mol×K	434.56	Calculated Property
Cp,gas	363.67	J/mol×K	515.33	Calculated Property
Cp,gas	399.02	J/mol×K	596.11	Calculated Property
Cp,gas	430.83	J/mol×K	676.89	Calculated Property
Cp,gas	458.86	J/mol×K	757.67	Calculated Property
Cp,gas	482.89	J/mol×K	838.44	Calculated Property
Cp,gas	502.69	J/mol×K	919.22	Calculated Property
Cp,gas	518.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[345.52; 562.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.15641e+01
Coefficient B			-3.04526e+03
Coefficient C			-7.54660e+01
Temperature range, min.			345.52
Temperature range, max.			562.51
Pvap	1.33	kPa	345.52	Calculated Property
Pvap	3.36	kPa	369.63	Calculated Property
Pvap	7.36	kPa	393.74	Calculated Property
Pvap	14.44	kPa	417.85	Calculated Property
Pvap	25.92	kPa	441.96	Calculated Property
Pvap	43.28	kPa	466.07	Calculated Property
Pvap	68.10	kPa	490.18	Calculated Property
Pvap	101.95	kPa	514.29	Calculated Property
Pvap	146.34	kPa	538.40	Calculated Property
Pvap	202.66	kPa	562.51	Calculated Property

Similar Compounds

Find more compounds similar to Diisobutyl sulfite.

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
• The Yaws Handbook of Vapor Pressure

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