Chemical Properties of Octane, 1-(propylthio)- (CAS 3698-93-9)

InChI

InChI=1S/C11H24S/c1-3-5-6-7-8-9-11-12-10-4-2/h3-11H2,1-2H3

InChI Key

GPJXDRJGQAKGLH-UHFFFAOYSA-N

Formula

C11H24S

SMILES

CCCCCCCCSCCC

Molecular Weight¹

188.37

CAS

3698-93-9

Other Names

• 4-Thiadodecane
• Octyl propyl sulfide
• Sulfide, octyl propyl

• 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°	74.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-228.50	kJ/mol	Joback Calculated Property
ΔfusH°	28.38	kJ/mol	Joback Calculated Property
ΔvapH°	46.90	kJ/mol	Joback Calculated Property
log10WS	-4.31		Crippen Calculated Property
logPoct/wat	4.490		Crippen Calculated Property
McVol	182.200	ml/mol	McGowan Calculated Property
Pc	1963.07	kPa	Joback Calculated Property
Inp	[1382.00; 1382.00]
Inp	1382.00		NIST
Inp	1382.00		NIST
I	1592.00		NIST
Tboil	519.86	K	Joback Calculated Property
Tc	700.00	K	Joback Calculated Property
Tfus	248.13	K	Joback Calculated Property
Vc	0.706	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[423.34; 512.48]	J/mol×K	[519.86; 700.00]
Cp,gas	423.34	J/mol×K	519.86	Joback Calculated Property
Cp,gas	439.87	J/mol×K	549.88	Joback Calculated Property
Cp,gas	455.71	J/mol×K	579.91	Joback Calculated Property
Cp,gas	470.88	J/mol×K	609.93	Joback Calculated Property
Cp,gas	485.39	J/mol×K	639.95	Joback Calculated Property
Cp,gas	499.25	J/mol×K	669.98	Joback Calculated Property
Cp,gas	512.48	J/mol×K	700.00	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[390.45; 533.89]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60036e+01
Coefficient B			-4.79775e+03
Coefficient C			-8.51710e+01
Temperature range, min.			390.45
Temperature range, max.			533.89
Pvap	1.33	kPa	390.45	Calculated Property
Pvap	2.91	kPa	406.39	Calculated Property
Pvap	5.89	kPa	422.33	Calculated Property
Pvap	11.20	kPa	438.26	Calculated Property
Pvap	20.14	kPa	454.20	Calculated Property
Pvap	34.50	kPa	470.14	Calculated Property
Pvap	56.62	kPa	486.08	Calculated Property
Pvap	89.47	kPa	502.01	Calculated Property
Pvap	136.70	kPa	517.95	Calculated Property
Pvap	202.66	kPa	533.89	Calculated Property

Similar Compounds

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

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.