Chemical Properties of 4-ethylidene-2-thiaadamantane

InChI

InChI=1S/C11H16S/c1-2-10-8-3-7-4-9(6-8)12-11(10)5-7/h2,7-9,11H,3-6H2,1H3/b10-2+

InChI Key

OGNJHZQCNYTMRS-WTDSWWLTSA-N

Formula

C11H16S

SMILES

CC=C1C2CC3CC(C2)SC1C3

Molecular Weight¹

180.31

• 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	0.3015		Relay (1.0) Calculated Property
ΔfG°	289.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-19.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.60	kJ/mol	Joback Calculated Property
ΔvapH°	61.11	kJ/mol	Relay (1.0) Calculated Property
IE	7.78	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	3.237		Crippen Calculated Property
McVol	145.320	ml/mol	McGowan Calculated Property
Pc	2862.74	kPa	Joback Calculated Property
Inp	[1556.00; 1588.00]
Inp	1556.00		NIST
Inp	1563.00		NIST
Inp	1574.00		NIST
Inp	1569.00		NIST
Inp	1577.00		NIST
Inp	1588.00		NIST
Tboil	538.26	K	Relay (1.0) Calculated Property
Tc	789.96	K	Relay (1.0) Calculated Property
Tfus	470.70	K	Relay (1.0) Calculated Property
Vc	0.509	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[356.88; 455.49]	J/mol×K	[525.37; 757.07]
Cp,gas	356.88	J/mol×K	525.37	Joback Calculated Property
Cp,gas	376.59	J/mol×K	563.99	Joback Calculated Property
Cp,gas	394.81	J/mol×K	602.60	Joback Calculated Property
Cp,gas	411.69	J/mol×K	641.22	Joback Calculated Property
Cp,gas	427.34	J/mol×K	679.83	Joback Calculated Property
Cp,gas	441.90	J/mol×K	718.45	Joback Calculated Property
Cp,gas	455.49	J/mol×K	757.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-ethylidene-2-thiaadamantane.

Sources

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

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