Chemical Properties of Diisobutyl sulfone (CAS 10495-45-1)

InChI

InChI=1S/C8H18O2S/c1-7(2)5-11(9,10)6-8(3)4/h7-8H,5-6H2,1-4H3

InChI Key

ULSLZZKKTPQNNJ-UHFFFAOYSA-N

Formula

C8H18O2S

SMILES

CC(C)CS(=O)(=O)CC(C)C

Molecular Weight¹

178.29

CAS

10495-45-1

Other Names

• (iso-C4H9)2SO2
• 1,1'-Sulphonylbis(2-methyl-propane)
• Diisobutyl sulphone
• Isobutyl sulfone
• Propane, 1,1'-sulfonylbis*2-methyl-
• Propane, 1,1'-sulfonylbis[2-methyl-

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-5697.69 ± 0.59	kJ/mol	NIST
ΔfG°	-456.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-535.60 ± 2.60	kJ/mol	NIST
ΔfH°liquid	-625.17 ± 0.84	kJ/mol	NIST
ΔfusH°	20.81	kJ/mol	Joback Calculated Property
ΔvapH°	90.00 ± 3.00	kJ/mol	NIST
IE	9.54 ± 0.05	eV	NIST
log10WS	-1.52		Crippen Calculated Property
logPoct/wat	1.713		Crippen Calculated Property
McVol	151.670	ml/mol	McGowan Calculated Property
Pc	3035.62	kPa	Joback Calculated Property
Tboil	[374.00; 538.00]	K
Tboil	538.00	K	NIST
Tboil	374.00 ± 3.00	K	NIST
Tc	598.32	K	Joback Calculated Property
Tfus	[290.00; 290.10]	K
Tfus	290.00	K	NIST
Tfus	290.10 ± 0.60	K	NIST
Vc	0.598	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[309.59; 387.85]	J/mol×K	[429.34; 598.32]
Cp,gas	309.59	J/mol×K	429.34	Joback Calculated Property
Cp,gas	323.91	J/mol×K	457.50	Joback Calculated Property
Cp,gas	337.72	J/mol×K	485.67	Joback Calculated Property
Cp,gas	351.02	J/mol×K	513.83	Joback Calculated Property
Cp,gas	363.80	J/mol×K	541.99	Joback Calculated Property
Cp,gas	376.08	J/mol×K	570.15	Joback Calculated Property
Cp,gas	387.85	J/mol×K	598.32	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[405.52; 570.30]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49079e+01
Coefficient B			-4.60194e+03
Coefficient C			-9.07560e+01
Temperature range, min.			405.52
Temperature range, max.			570.30
Pvap	1.33	kPa	405.52	Calculated Property
Pvap	2.98	kPa	423.83	Calculated Property
Pvap	6.12	kPa	442.14	Calculated Property
Pvap	11.70	kPa	460.45	Calculated Property
Pvap	21.06	kPa	478.76	Calculated Property
Pvap	35.93	kPa	497.06	Calculated Property
Pvap	58.56	kPa	515.37	Calculated Property
Pvap	91.65	kPa	533.68	Calculated Property
Pvap	138.44	kPa	551.99	Calculated Property
Pvap	202.63	kPa	570.30	Calculated Property

Similar Compounds

Find more compounds similar to Diisobutyl sulfone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.