Chemical Properties of heptyl propyl sulfide (CAS 24768-46-5)

InChI

InChI=1S/C10H22S/c1-3-5-6-7-8-10-11-9-4-2/h3-10H2,1-2H3

InChI Key

PCPVCHFKVPNTBH-UHFFFAOYSA-N

Formula

C10H22S

SMILES

CCCCCCCSCCC

Molecular Weight¹

174.35

CAS

24768-46-5

Other Names

• 4-Thiaundecane

• 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).
• 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
ω	0.4894		Relay (1.0) Calculated Property
ΔfG°	66.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-217.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.79	kJ/mol	Joback Calculated Property
ΔvapH°	61.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-5.02		Relay (1.0) Calculated Property
logPoct/wat	4.100		Crippen Calculated Property
McVol	168.110	ml/mol	McGowan Calculated Property
Pc	2141.36	kPa	Joback Calculated Property
Inp	[1282.00; 1282.00]
Inp	1282.00		NIST
Inp	1282.00		NIST
I	[1465.20; 1492.00]
I	1470.30		NIST
I	1465.20		NIST
I	1492.00		NIST
Tboil	492.08	K	Relay (1.0) Calculated Property
Tc	682.33	K	Relay (1.0) Calculated Property
Tfus	229.98	K	Relay (1.0) Calculated Property
Vc	0.643	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[375.94; 461.02]	J/mol×K	[496.98; 678.93]
Cp,gas	375.94	J/mol×K	496.98	Joback Calculated Property
Cp,gas	391.70	J/mol×K	527.30	Joback Calculated Property
Cp,gas	406.81	J/mol×K	557.63	Joback Calculated Property
Cp,gas	421.28	J/mol×K	587.95	Joback Calculated Property
Cp,gas	435.13	J/mol×K	618.28	Joback Calculated Property
Cp,gas	448.38	J/mol×K	648.60	Joback Calculated Property
Cp,gas	461.02	J/mol×K	678.93	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[379.63; 513.79]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64792e+01
Coefficient B			-4.82867e+03
Coefficient C			-8.14120e+01
Temperature range, min.			379.63
Temperature range, max.			513.79
Pvap	1.33	kPa	379.63	Calculated Property
Pvap	2.88	kPa	394.54	Calculated Property
Pvap	5.81	kPa	409.44	Calculated Property
Pvap	11.01	kPa	424.35	Calculated Property
Pvap	19.80	kPa	439.26	Calculated Property
Pvap	33.96	kPa	454.16	Calculated Property
Pvap	55.88	kPa	469.07	Calculated Property
Pvap	88.63	kPa	483.98	Calculated Property
Pvap	136.02	kPa	498.88	Calculated Property
Pvap	202.66	kPa	513.79	Calculated Property

Similar Compounds

Find more compounds similar to heptyl propyl sulfide.

Sources

• Cheméo Relay (1.0)
• 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.