Chemical Properties of 4,8-diethyl-2-thiaadamantane

InChI

InChI=1S/C13H22S/c1-3-10-8-5-9-7-12(10)14-13(6-8)11(9)4-2/h8-13H,3-7H2,1-2H3

InChI Key

HMDMYPGLMLNKOS-UHFFFAOYSA-N

Formula

C13H22S

SMILES

CCC1C2CC3CC1SC(C2)C3CC

Molecular Weight¹

210.38

• 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	0.3604		Relay (1.0) Calculated Property
ΔfG°	245.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-132.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.60	kJ/mol	Joback Calculated Property
ΔvapH°	67.85	kJ/mol	Relay (1.0) Calculated Property
IE	7.67	eV	Relay (1.0) Calculated Property
log10WS	-5.67		Relay (1.0) Calculated Property
logPoct/wat	3.953		Crippen Calculated Property
McVol	177.800	ml/mol	McGowan Calculated Property
Pc	2151.31	kPa	Joback Calculated Property
Inp	[1718.00; 1772.00]
Inp	1718.00		NIST
Inp	1730.00		NIST
Inp	1743.00		NIST
Inp	1732.00		NIST
Inp	1745.00		NIST
Inp	1757.00		NIST
Inp	1746.00		NIST
Inp	1759.00		NIST
Inp	1772.00		NIST
Inp	1718.00		NIST
Inp	1757.00		NIST
Tboil	555.12	K	Relay (1.0) Calculated Property
Tc	806.56	K	Relay (1.0) Calculated Property
Tfus	468.79	K	Relay (1.0) Calculated Property
Vc	0.644	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[475.44; 591.74]	J/mol×K	[555.15; 771.22]
Cp,gas	475.44	J/mol×K	555.15	Joback Calculated Property
Cp,gas	498.11	J/mol×K	591.16	Joback Calculated Property
Cp,gas	519.33	J/mol×K	627.17	Joback Calculated Property
Cp,gas	539.22	J/mol×K	663.18	Joback Calculated Property
Cp,gas	557.85	J/mol×K	699.19	Joback Calculated Property
Cp,gas	575.33	J/mol×K	735.21	Joback Calculated Property
Cp,gas	591.74	J/mol×K	771.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,8-diethyl-2-thiaadamantane.

Sources

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

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