Chemical Properties of Octane, 1-(butylthio)- (CAS 16900-07-5)

InChI

InChI=1S/C12H26S/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3-12H2,1-2H3

InChI Key

UNIAPWPIAGJFDG-UHFFFAOYSA-N

Formula

C12H26S

SMILES

CCCCCCCCSCCCC

Molecular Weight¹

202.40

CAS

16900-07-5

Other Names

• 5-Thiatridecane
• Butyl octyl sulfide
• Sulfide, butyl octyl

• 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).
• 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
ΔfG°	83.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-249.14	kJ/mol	Joback Calculated Property
ΔfusH°	30.97	kJ/mol	Joback Calculated Property
ΔvapH°	49.12	kJ/mol	Joback Calculated Property
log10WS	-4.73		Crippen Calculated Property
logPoct/wat	4.880		Crippen Calculated Property
McVol	196.290	ml/mol	McGowan Calculated Property
Pc	1806.16	kPa	Joback Calculated Property
Inp	[1477.00; 1477.00]
Inp	1477.00		NIST
Inp	1477.00		NIST
Inp	1477.00		NIST
Inp	1477.00		NIST
Inp	1477.00		NIST
I	1684.00		NIST
Tboil	542.74	K	Joback Calculated Property
Tc	721.16	K	Joback Calculated Property
Tfus	259.40	K	Joback Calculated Property
Vc	0.761	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[472.53; 565.21]	J/mol×K	[542.74; 721.16]
Cp,gas	472.53	J/mol×K	542.74	Joback Calculated Property
Cp,gas	489.74	J/mol×K	572.48	Joback Calculated Property
Cp,gas	506.22	J/mol×K	602.21	Joback Calculated Property
Cp,gas	521.99	J/mol×K	631.95	Joback Calculated Property
Cp,gas	537.07	J/mol×K	661.69	Joback Calculated Property
Cp,gas	551.47	J/mol×K	691.42	Joback Calculated Property
Cp,gas	565.21	J/mol×K	721.16	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[403.41; 552.08]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.59133e+01
Coefficient B			-4.90231e+03
Coefficient C			-8.96740e+01
Temperature range, min.			403.41
Temperature range, max.			552.08
Pvap	1.33	kPa	403.41	Calculated Property
Pvap	2.91	kPa	419.93	Calculated Property
Pvap	5.91	kPa	436.45	Calculated Property
Pvap	11.24	kPa	452.97	Calculated Property
Pvap	20.21	kPa	469.49	Calculated Property
Pvap	34.61	kPa	486.00	Calculated Property
Pvap	56.77	kPa	502.52	Calculated Property
Pvap	89.64	kPa	519.04	Calculated Property
Pvap	136.84	kPa	535.56	Calculated Property
Pvap	202.66	kPa	552.08	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 1-(butylthio)-.

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.