Chemical Properties of Sulfurous acid, dipropyl ester (CAS 623-98-3)

InChI

InChI=1S/C6H14O3S/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3

InChI Key

MAIQPVFXODAAIG-UHFFFAOYSA-N

Formula

C6H14O3S

SMILES

CCCOS(=O)OCCC

Molecular Weight¹

166.24

CAS

623-98-3

Other Names

• Di-n-propyl sulphite
• Dipropyl ester of sulfurous acid
• Dipropyl sulfite
• Dipropyl sulphite
• Sulphurous acid dipropyl ester
• di-n-Propyl sulfite

• 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).
• 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	-4317.30 ± 1.00	kJ/mol	NIST
ΔfG°	-428.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-588.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-646.60 ± 1.10	kJ/mol	NIST
ΔfusH°	21.43	kJ/mol	Joback Calculated Property
ΔvapH°	59.00 ± 2.00	kJ/mol	NIST
log10WS	-1.12		Crippen Calculated Property
logPoct/wat	1.418		Crippen Calculated Property
McVol	129.360	ml/mol	McGowan Calculated Property
Pc	3295.37	kPa	Joback Calculated Property
Tboil	[464.00; 465.00]	K
Tboil	465.00 ± 1.00	K	NIST
Tboil	464.00 ± 3.00	K	NIST
Tc	615.01	K	Joback Calculated Property
Tfus	238.32	K	Joback Calculated Property
Vc	0.497	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[264.37; 326.11]	J/mol×K	[439.80; 615.01]
Cp,gas	264.37	J/mol×K	439.80	Joback Calculated Property
Cp,gas	275.39	J/mol×K	469.00	Joback Calculated Property
Cp,gas	286.14	J/mol×K	498.20	Joback Calculated Property
Cp,gas	296.60	J/mol×K	527.41	Joback Calculated Property
Cp,gas	306.76	J/mol×K	556.61	Joback Calculated Property
Cp,gas	316.60	J/mol×K	585.81	Joback Calculated Property
Cp,gas	326.11	J/mol×K	615.01	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[330.72; 500.51]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.30165e+01
Coefficient B			-3.31458e+03
Coefficient C			-7.03230e+01
Temperature range, min.			330.72
Temperature range, max.			500.51
Pvap	1.33	kPa	330.72	Calculated Property
Pvap	3.15	kPa	349.59	Calculated Property
Pvap	6.68	kPa	368.45	Calculated Property
Pvap	12.94	kPa	387.32	Calculated Property
Pvap	23.28	kPa	406.18	Calculated Property
Pvap	39.35	kPa	425.05	Calculated Property
Pvap	63.07	kPa	443.91	Calculated Property
Pvap	96.62	kPa	462.78	Calculated Property
Pvap	142.33	kPa	481.64	Calculated Property
Pvap	202.67	kPa	500.51	Calculated Property

Similar Compounds

Find more compounds similar to Sulfurous acid, dipropyl ester.

Sources

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

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