Chemical Properties of (1-adamantyl)2CS (CAS 73509-04-3)

InChI

InChI=1S/C21H30S/c22-19(20-7-13-1-14(8-20)3-15(2-13)9-20)21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2

InChI Key

PRGACUHWUBEYRP-UHFFFAOYSA-N

Formula

C21H30S

SMILES

S=C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

314.53

CAS

73509-04-3

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[867.93; 1049.81]	J/mol×K	[790.04; 1052.54]
Cp,gas	867.93	J/mol×K	790.04	Joback Calculated Property
Cp,gas	895.47	J/mol×K	833.79	Joback Calculated Property
Cp,gas	923.16	J/mol×K	877.54	Joback Calculated Property
Cp,gas	951.73	J/mol×K	921.29	Joback Calculated Property
Cp,gas	981.89	J/mol×K	965.04	Joback Calculated Property
Cp,gas	1014.34	J/mol×K	1008.79	Joback Calculated Property
Cp,gas	1049.81	J/mol×K	1052.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1-adamantyl)2CS.

Sources

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

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