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

InChI

InChI=1S/C11H18S/c1-6-8-3-9-5-10(6)12-11(4-8)7(9)2/h6-11H,3-5H2,1-2H3

InChI Key

LOTVPGBDKCHZJQ-UHFFFAOYSA-N

Formula

C11H18S

SMILES

CC1C2CC3CC1SC(C2)C3C

Molecular Weight¹

182.33

• 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°	228.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-73.89	kJ/mol	Joback Calculated Property
ΔfusH°	23.42	kJ/mol	Joback Calculated Property
ΔvapH°	44.88	kJ/mol	Joback Calculated Property
log10WS	-3.25		Crippen Calculated Property
logPoct/wat	3.172		Crippen Calculated Property
McVol	149.620	ml/mol	McGowan Calculated Property
Pc	2592.49	kPa	Joback Calculated Property
Inp	[1559.00; 1604.00]
Inp	1559.00		NIST
Inp	1571.00		NIST
Inp	1582.00		NIST
Inp	1570.00		NIST
Inp	1582.00		NIST
Inp	1593.00		NIST
Inp	1581.00		NIST
Inp	1593.00		NIST
Inp	1604.00		NIST
Inp	1559.00		NIST
Inp	1593.00		NIST
Tboil	509.39	K	Joback Calculated Property
Tc	733.08	K	Joback Calculated Property
Tfus	334.76	K	Joback Calculated Property
Vc	0.557	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.53; 485.95]	J/mol×K	[509.39; 733.08]
Cp,gas	374.53	J/mol×K	509.39	Joback Calculated Property
Cp,gas	396.46	J/mol×K	546.67	Joback Calculated Property
Cp,gas	416.92	J/mol×K	583.95	Joback Calculated Property
Cp,gas	436.00	J/mol×K	621.23	Joback Calculated Property
Cp,gas	453.80	J/mol×K	658.51	Joback Calculated Property
Cp,gas	470.42	J/mol×K	695.80	Joback Calculated Property
Cp,gas	485.95	J/mol×K	733.08	Joback Calculated Property

Similar Compounds

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

Sources

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

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