Chemical Properties of Disulfide, bis(1-methylethyl) (CAS 4253-89-8)

InChI

InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3

InChI Key

LZAZXBXPKRULLB-UHFFFAOYSA-N

Formula

C6H14S2

SMILES

CC(C)SSC(C)C

Molecular Weight¹

150.31

CAS

4253-89-8

Other Names

• Isopropyl disulfide
• Diisopropyl disulfide
• (i-C3H7S)2
• 2,5-Dimethyl-3,4-dithiahexane
• Diisopropyl disulphide
• bis(1-Methylethyl) disulphide
• bis(1-methylethyl) disulphide (isopropyldisulphide)
• diisopropyl sulphide

• 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_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).
• 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
ΔfG°	61.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-93.99	kJ/mol	Joback Calculated Property
ΔfusH°	12.51	kJ/mol	Joback Calculated Property
ΔvapH°	[39.60; 49.30]	kJ/mol
ΔvapH°	49.30	kJ/mol	NIST
ΔvapH°	39.60	kJ/mol	NIST
IE	[8.00; 8.54]	eV
IE	8.00	eV	NIST
IE	8.51	eV	NIST
IE	8.54	eV	NIST
IE	8.54	eV	NIST
log10WS	-3.32		Crippen Calculated Property
logPoct/wat	3.185		Crippen Calculated Property
McVol	128.100	ml/mol	McGowan Calculated Property
Pc	3287.81	kPa	Joback Calculated Property
Inp	[1014.00; 1030.00]
Inp	1023.00		NIST
Inp	1016.00		NIST
Inp	1018.00		NIST
Inp	1018.00		NIST
Inp	1014.00		NIST
Inp	1023.00		NIST
Inp	Outlier 1030.00		NIST
Inp	1023.00		NIST
Inp	1018.00		NIST
I	[1238.00; 1298.00]
I	1238.00		NIST
I	1268.00		NIST
I	1252.00		NIST
I	1248.00		NIST
I	1260.00		NIST
I	Outlier 1298.00		NIST
I	1238.00		NIST
Tboil	[447.00; 450.40]	K
Tboil	448.70	K	NIST
Tboil	450.40	K	NIST
Tboil	447.00 ± 1.50	K	NIST
Tboil	447.00 ± 4.00	K	NIST
Tc	695.84	K	Joback Calculated Property
Tfus	204.10 ± 0.20	K	NIST
Vc	0.468	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[254.40; 323.66]	J/mol×K	[473.36; 695.84]
Cp,gas	254.40	J/mol×K	473.36	Joback Calculated Property
Cp,gas	267.47	J/mol×K	510.44	Joback Calculated Property
Cp,gas	279.93	J/mol×K	547.52	Joback Calculated Property
Cp,gas	291.77	J/mol×K	584.60	Joback Calculated Property
Cp,gas	303.01	J/mol×K	621.68	Joback Calculated Property
Cp,gas	313.64	J/mol×K	658.76	Joback Calculated Property
Cp,gas	323.66	J/mol×K	695.84	Joback Calculated Property
ΔvapH	43.80	kJ/mol	412.00	NIST

Similar Compounds

Find more compounds similar to Disulfide, bis(1-methylethyl).

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.