Chemical Properties of cis-2,4-Dimethylthiane (CAS 61568-43-2)

InChI

InChI=1S/C7H14S/c1-6-3-4-8-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1

InChI Key

ZUJJNQJNBRWNQH-RNFRBKRXSA-N

Formula

C7H14S

SMILES

CC1CCSC(C)C1

Molecular Weight¹

130.25

CAS

61568-43-2

Other Names

• cis-2,4-dimethyl-thiacyclohexane
• 2,4-Dimethyltetrahydro-2H-thiopyran, cis

• 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).
• 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
ΔfG°	64.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-108.57	kJ/mol	Joback Calculated Property
ΔfusH°	10.45	kJ/mol	Joback Calculated Property
ΔvapH°	37.11	kJ/mol	Joback Calculated Property
log10WS	-2.40		Crippen Calculated Property
logPoct/wat	2.538		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Pc	3364.54	kPa	Joback Calculated Property
Inp	[998.00; 998.00]
Inp	998.00		NIST
Inp	998.00		NIST
Tboil	422.27	K	Joback Calculated Property
Tc	641.36	K	Joback Calculated Property
Tfus	255.24	K	Joback Calculated Property
Vc	0.406	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.70; 309.57]	J/mol×K	[422.27; 641.36]
Cp,gas	220.70	J/mol×K	422.27	Joback Calculated Property
Cp,gas	237.55	J/mol×K	458.78	Joback Calculated Property
Cp,gas	253.57	J/mol×K	495.30	Joback Calculated Property
Cp,gas	268.76	J/mol×K	531.81	Joback Calculated Property
Cp,gas	283.14	J/mol×K	568.33	Joback Calculated Property
Cp,gas	296.74	J/mol×K	604.84	Joback Calculated Property
Cp,gas	309.57	J/mol×K	641.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-2,4-Dimethylthiane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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