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

InChI

InChI=1S/C17H30S/c1-3-5-7-14-12-9-13-11-16(14)18-17(10-12)15(13)8-6-4-2/h12-17H,3-11H2,1-2H3

InChI Key

URKLLDGPLCCAFG-UHFFFAOYSA-N

Formula

C17H30S

SMILES

CCCCC1C2CC3CC1SC(C2)C3CCCC

Molecular Weight¹

266.49

• 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°	279.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-197.73	kJ/mol	Joback Calculated Property
ΔfusH°	38.96	kJ/mol	Joback Calculated Property
ΔvapH°	58.23	kJ/mol	Joback Calculated Property
log10WS	-5.76		Crippen Calculated Property
logPoct/wat	5.513		Crippen Calculated Property
McVol	234.160	ml/mol	McGowan Calculated Property
Pc	1550.00	kPa	Joback Calculated Property
Inp	[2057.00; 2128.00]
Inp	2057.00		NIST
Inp	2070.00		NIST
Inp	2082.00		NIST
Inp	2080.00		NIST
Inp	2092.00		NIST
Inp	2104.00		NIST
Inp	2103.00		NIST
Inp	2115.00		NIST
Inp	2128.00		NIST
Inp	2057.00		NIST
Inp	2104.00		NIST
Tboil	646.67	K	Joback Calculated Property
Tc	849.54	K	Joback Calculated Property
Tfus	402.38	K	Joback Calculated Property
Vc	0.893	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[694.24; 815.55]	J/mol×K	[646.67; 849.54]
Cp,gas	694.24	J/mol×K	646.67	Joback Calculated Property
Cp,gas	717.50	J/mol×K	680.48	Joback Calculated Property
Cp,gas	739.43	J/mol×K	714.29	Joback Calculated Property
Cp,gas	760.11	J/mol×K	748.10	Joback Calculated Property
Cp,gas	779.63	J/mol×K	781.91	Joback Calculated Property
Cp,gas	798.08	J/mol×K	815.72	Joback Calculated Property
Cp,gas	815.55	J/mol×K	849.54	Joback Calculated Property

Similar Compounds

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

Sources

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

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