Chemical Properties of Propane, 2-methyl-1-(methylthio)- (CAS 5008-69-5)

InChI

InChI=1S/C5H12S/c1-5(2)4-6-3/h5H,4H2,1-3H3

InChI Key

UYVGFIKOUAFDOZ-UHFFFAOYSA-N

Formula

C5H12S

SMILES

CSCC(C)C

Molecular Weight¹

104.21

CAS

5008-69-5

Other Names

• 4-Methyl-2-thiapentane
• Isobutyl methyl sulfide
• Methyl isobutyl sulfide
• Sulfide, isobutyl methyl

• ω : Acentric Factor.
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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
ω	0.2585		Relay (1.0) Calculated Property
ΔfG°	21.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-116.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.31	kJ/mol	Joback Calculated Property
ΔvapH°	35.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-2.38		Relay (1.0) Calculated Property
logPoct/wat	2.005		Crippen Calculated Property
McVol	97.660	ml/mol	McGowan Calculated Property
Pc	3572.80	kPa	Joback Calculated Property
Inp	[763.00; 776.00]
Inp	775.00		NIST
Inp	763.00		NIST
Inp	775.00		NIST
Inp	775.00		NIST
Inp	763.00		NIST
Inp	776.00		NIST
Inp	775.00		NIST
Inp	763.00		NIST
Tboil	386.25 ± 0.30	K	NIST
Tc	567.98	K	Relay (1.0) Calculated Property
Tfus	164.05 ± 0.20	K	NIST
Vc	0.346	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.65; 226.28]	J/mol×K	[382.14; 576.94]
Cp,gas	169.65	J/mol×K	382.14	Joback Calculated Property
Cp,gas	180.05	J/mol×K	414.61	Joback Calculated Property
Cp,gas	190.07	J/mol×K	447.07	Joback Calculated Property
Cp,gas	199.69	J/mol×K	479.54	Joback Calculated Property
Cp,gas	208.93	J/mol×K	512.01	Joback Calculated Property
Cp,gas	217.80	J/mol×K	544.47	Joback Calculated Property
Cp,gas	226.28	J/mol×K	576.94	Joback Calculated Property
ΔvapH	36.90	kJ/mol	349.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[282.73; 412.70]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37307e+01
Coefficient B			-2.92807e+03
Coefficient C			-6.49210e+01
Temperature range, min.			282.73
Temperature range, max.			412.70
Pvap	1.33	kPa	282.73	Calculated Property
Pvap	3.07	kPa	297.17	Calculated Property
Pvap	6.43	kPa	311.61	Calculated Property
Pvap	12.40	kPa	326.05	Calculated Property
Pvap	22.32	kPa	340.49	Calculated Property
Pvap	37.88	kPa	354.94	Calculated Property
Pvap	61.15	kPa	369.38	Calculated Property
Pvap	94.52	kPa	383.82	Calculated Property
Pvap	140.70	kPa	398.26	Calculated Property
Pvap	202.62	kPa	412.70	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-methyl-1-(methylthio)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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