Chemical Properties of E-1-(3-Chloro-2-methyl-allylsulfanyl) -pentane

InChI

InChI=1S/C9H17ClS/c1-3-4-5-6-11-8-9(2)7-10/h7H,3-6,8H2,1-2H3/b9-7+

InChI Key

IKTZYZGLMACANG-VQHVLOKHSA-N

Formula

C9H17ClS

SMILES

CCCCCSCC(C)=CCl

Molecular Weight¹

192.75

Other Names

• E-1-(3-Chloro-2-methyl-allylthio) -pentane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-134.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.29	kJ/mol	Joback Calculated Property
ΔvapH°	61.93	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.052		Crippen Calculated Property
McVol	161.960	ml/mol	McGowan Calculated Property
Pc	2391.19	kPa	Joback Calculated Property
Inp	[1331.20; 1331.20]
Inp	1331.20		NIST
Inp	1331.20		NIST
I	1679.40		NIST
Tboil	510.62	K	Relay (1.0) Calculated Property
Tc	695.78	K	Relay (1.0) Calculated Property
Tfus	227.39	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.97; 417.44]	J/mol×K	[515.77; 717.38]
Cp,gas	342.97	J/mol×K	515.77	Joback Calculated Property
Cp,gas	357.12	J/mol×K	549.37	Joback Calculated Property
Cp,gas	370.53	J/mol×K	582.97	Joback Calculated Property
Cp,gas	383.23	J/mol×K	616.58	Joback Calculated Property
Cp,gas	395.27	J/mol×K	650.18	Joback Calculated Property
Cp,gas	406.66	J/mol×K	683.78	Joback Calculated Property
Cp,gas	417.44	J/mol×K	717.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to E-1-(3-Chloro-2-methyl-allylsulfanyl) -pentane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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