Chemical Properties of 6-methyl-3-thiaheptane

InChI

InChI=1S/C7H16S/c1-4-8-6-5-7(2)3/h7H,4-6H2,1-3H3

InChI Key

AGKOQHSTPVLJSQ-UHFFFAOYSA-N

Formula

C7H16S

SMILES

CCSCCC(C)C

Molecular Weight¹

132.27

Other Names

• (3-methylbutyl) ethyl sulfide

• 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).
• I_np : Non-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	0.3171		Relay (1.0) Calculated Property
ΔfG°	38.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-155.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.49	kJ/mol	Joback Calculated Property
ΔvapH°	48.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-3.25		Relay (1.0) Calculated Property
logPoct/wat	2.786		Crippen Calculated Property
McVol	125.840	ml/mol	McGowan Calculated Property
Pc	2875.03	kPa	Joback Calculated Property
Inp	[954.00; 954.00]
Inp	954.00		NIST
Inp	954.00		NIST
Inp	954.00		NIST
Tboil	430.31	K	Relay (1.0) Calculated Property
Tc	616.82	K	Relay (1.0) Calculated Property
Tfus	176.09	K	Relay (1.0) Calculated Property
Vc	0.457	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.17; 407.59]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.44430e+01
Coefficient B			6.69150e-01
Coefficient C			-3.20000e-04
Coefficient D			4.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.17	J/mol×K	273.00	Calculated Property
Cp,gas	213.07	J/mol×K	353.78	Calculated Property
Cp,gas	248.41	J/mol×K	434.56	Calculated Property
Cp,gas	280.32	J/mol×K	515.33	Calculated Property
Cp,gas	308.94	J/mol×K	596.11	Calculated Property
Cp,gas	334.41	J/mol×K	676.89	Calculated Property
Cp,gas	356.87	J/mol×K	757.67	Calculated Property
Cp,gas	376.47	J/mol×K	838.44	Calculated Property
Cp,gas	393.33	J/mol×K	919.22	Calculated Property
Cp,gas	407.59	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6-methyl-3-thiaheptane.

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.
These property values are available through the Cheméo API. A free account gives you an access key.