Chemical Properties of Propane, 1,1'-thiobis[2-methyl- (CAS 592-65-4)

InChI

InChI=1S/C8H18S/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3

InChI Key

CMWSRWTXVQLHNX-UHFFFAOYSA-N

Formula

C8H18S

SMILES

CC(C)CSCC(C)C

Molecular Weight¹

146.29

CAS

592-65-4

Other Names

• (iso-C4H9)2S
• 1,1'-Thiobis(2-methyl-propane)
• 2,6-Dimethyl-4-thiaheptane
• DI-ISO-BUTYL SULFIDE
• Di(2-methylpropyl) sulfide
• Diisobutyl sulfide
• Diisobutyl sulphide
• Isobutyl sulfide
• Sulfide, diisobutyl-

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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	-6093.20 ± 1.50	kJ/mol	NIST
ΔfG°	44.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-229.00 ± 2.00	kJ/mol	NIST
ΔfusH°	13.56	kJ/mol	Joback Calculated Property
ΔvapH°	[48.50; 50.00]	kJ/mol
ΔvapH°	48.71	kJ/mol	NIST
ΔvapH°	48.70	kJ/mol	NIST
ΔvapH°	48.50 ± 0.80	kJ/mol	NIST
ΔvapH°	50.00 ± 2.00	kJ/mol	NIST
ΔvapH°	50.00	kJ/mol	NIST
IE	[8.32; 8.36]	eV
IE	8.32	eV	NIST
IE	8.36 ± 0.05	eV	NIST
log10WS	-2.57		Crippen Calculated Property
logPoct/wat	3.032		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Pc	2621.78	kPa	Joback Calculated Property
Inp	[969.00; 1003.00]
Inp	994.00		NIST
Inp	991.00		NIST
Inp	997.00		NIST
Inp	1003.00		NIST
Inp	983.00		NIST
Inp	994.00		NIST
Inp	994.00		NIST
Inp	Outlier 969.00		NIST
Inp	994.00		NIST
I	[1149.00; 1149.00]
I	1149.00		NIST
I	1149.00		NIST
Tboil	[445.20; 447.00]	K
Tboil	445.50 ± 0.50	K	NIST
Tboil	445.20 ± 0.60	K	NIST
Tboil	447.00 ± 2.00	K	NIST
Tc	644.50	K	Joback Calculated Property
Tfus	167.65 ± 0.50	K	NIST
Vc	0.525	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.13; 366.15]	J/mol×K	[450.34; 644.50]
Cp,gas	287.13	J/mol×K	450.34	Joback Calculated Property
Cp,gas	301.81	J/mol×K	482.70	Joback Calculated Property
Cp,gas	315.88	J/mol×K	515.06	Joback Calculated Property
Cp,gas	329.34	J/mol×K	547.42	Joback Calculated Property
Cp,gas	342.19	J/mol×K	579.78	Joback Calculated Property
Cp,gas	354.46	J/mol×K	612.14	Joback Calculated Property
Cp,gas	366.15	J/mol×K	644.50	Joback Calculated Property
ΔvapH	[43.10; 46.40]	kJ/mol	[335.50; 336.00]
ΔvapH	46.40	kJ/mol	335.50	NIST
ΔvapH	43.10	kJ/mol	336.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[331.32; 473.52]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47339e+01
Coefficient B			-3.85276e+03
Coefficient C			-6.46240e+01
Temperature range, min.			331.32
Temperature range, max.			473.52
Pvap	1.33	kPa	331.32	Calculated Property
Pvap	2.99	kPa	347.12	Calculated Property
Pvap	6.16	kPa	362.92	Calculated Property
Pvap	11.79	kPa	378.72	Calculated Property
Pvap	21.22	kPa	394.52	Calculated Property
Pvap	36.19	kPa	410.32	Calculated Property
Pvap	58.91	kPa	426.12	Calculated Property
Pvap	92.05	kPa	441.92	Calculated Property
Pvap	138.77	kPa	457.72	Calculated Property
Pvap	202.65	kPa	473.52	Calculated Property
Pvap	[1.28; 3.63]	kPa	[325.15; 346.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.72060e+01
Coefficient B			-5.56944e+03
Coefficient C			3.06876e-02
Coefficient D			-4.48340e-08
Temperature range, min.			325.15
Temperature range, max.			346.15
Pvap	1.28	kPa	325.15	Calculated Property
Pvap	1.45	kPa	327.48	Calculated Property
Pvap	1.64	kPa	329.82	Calculated Property
Pvap	1.84	kPa	332.15	Calculated Property
Pvap	2.07	kPa	334.48	Calculated Property
Pvap	2.33	kPa	336.82	Calculated Property
Pvap	2.61	kPa	339.15	Calculated Property
Pvap	2.92	kPa	341.48	Calculated Property
Pvap	3.26	kPa	343.82	Calculated Property
Pvap	3.63	kPa	346.15	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1'-thiobis[2-methyl-.

Sources

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

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