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

InChI

InChI=1S/C15H26S/c1-3-5-12-10-7-11-9-14(12)16-15(8-10)13(11)6-4-2/h10-15H,3-9H2,1-2H3

InChI Key

ZJMZEHFJOGVBHY-UHFFFAOYSA-N

Formula

C15H26S

SMILES

CCCC1C2CC3CC1SC(C2)C3CCC

Molecular Weight¹

238.43

• 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°	262.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-156.45	kJ/mol	Joback Calculated Property
ΔfusH°	33.78	kJ/mol	Joback Calculated Property
ΔvapH°	53.78	kJ/mol	Joback Calculated Property
log10WS	-4.93		Crippen Calculated Property
logPoct/wat	4.733		Crippen Calculated Property
McVol	205.980	ml/mol	McGowan Calculated Property
Pc	1813.86	kPa	Joback Calculated Property
Inp	[1871.00; 1930.00]
Inp	1871.00		NIST
Inp	1912.00		NIST
Inp	1871.00		NIST
Inp	1882.00		NIST
Inp	1894.00		NIST
Inp	1889.00		NIST
Inp	1900.00		NIST
Inp	1912.00		NIST
Inp	1906.00		NIST
Inp	1918.00		NIST
Inp	1930.00		NIST
Tboil	600.91	K	Joback Calculated Property
Tc	809.91	K	Joback Calculated Property
Tfus	379.84	K	Joback Calculated Property
Vc	0.781	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[582.22; 701.64]	J/mol×K	[600.91; 809.91]
Cp,gas	582.22	J/mol×K	600.91	Joback Calculated Property
Cp,gas	605.30	J/mol×K	635.74	Joback Calculated Property
Cp,gas	626.99	J/mol×K	670.58	Joback Calculated Property
Cp,gas	647.37	J/mol×K	705.41	Joback Calculated Property
Cp,gas	666.55	J/mol×K	740.24	Joback Calculated Property
Cp,gas	684.60	J/mol×K	775.07	Joback Calculated Property
Cp,gas	701.64	J/mol×K	809.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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