Chemical Properties of «delta»-3-isopentenylmethyl sulfide (CAS 5952-75-0)

InChI

InChI=1S/C6H12S/c1-6(2)4-5-7-3/h1,4-5H2,2-3H3

InChI Key

UTEDUYINKYCEKZ-UHFFFAOYSA-N

Formula

C6H12S

SMILES

C=C(C)CCSC

Molecular Weight¹

116.22

CAS

5952-75-0

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	0.2763		Relay (1.0) Calculated Property
ΔfusH°	12.84	kJ/mol	Joback Calculated Property
ΔvapH°	45.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-2.10		Relay (1.0) Calculated Property
logPoct/wat	2.316		Crippen Calculated Property
McVol	107.450	ml/mol	McGowan Calculated Property
Pc	3341.24	kPa	Joback Calculated Property
I	[1191.00; 1191.00]
I	1191.00		NIST
I	1191.00		NIST
Tboil	409.02	K	Relay (1.0) Calculated Property
Tc	604.51	K	Relay (1.0) Calculated Property
Tfus	174.15	K	Relay (1.0) Calculated Property
Vc	0.383	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[191.66; 250.69]	J/mol×K	[402.22; 599.27]
Cp,gas	191.66	J/mol×K	402.22	Joback Calculated Property
Cp,gas	202.65	J/mol×K	435.06	Joback Calculated Property
Cp,gas	213.16	J/mol×K	467.90	Joback Calculated Property
Cp,gas	223.21	J/mol×K	500.74	Joback Calculated Property
Cp,gas	232.81	J/mol×K	533.58	Joback Calculated Property
Cp,gas	241.97	J/mol×K	566.43	Joback Calculated Property
Cp,gas	250.69	J/mol×K	599.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to «delta»-3-isopentenylmethyl sulfide.

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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