Chemical Properties of 4-methyl-2-thiaadamantane

InChI

InChI=1S/C10H16S/c1-6-8-2-7-3-9(5-8)11-10(6)4-7/h6-10H,2-5H2,1H3

InChI Key

ZBBUECPKKSCLQX-UHFFFAOYSA-N

Formula

C10H16S

SMILES

CC1C2CC3CC(C2)SC1C3

Molecular Weight¹

168.30

• 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°	227.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-32.91	kJ/mol	Joback Calculated Property
ΔfusH°	19.76	kJ/mol	Joback Calculated Property
ΔvapH°	42.96	kJ/mol	Joback Calculated Property
log10WS	-3.07		Crippen Calculated Property
logPoct/wat	2.926		Crippen Calculated Property
McVol	135.530	ml/mol	McGowan Calculated Property
Pc	2969.80	kPa	Joback Calculated Property
Inp	[1493.00; 1531.00]
Inp	1493.00		NIST
Inp	1505.00		NIST
Inp	1517.00		NIST
Inp	1505.00		NIST
Inp	1518.00		NIST
Inp	1531.00		NIST
Inp	1493.00		NIST
Inp	1531.00		NIST
Tboil	491.18	K	Joback Calculated Property
Tc	718.92	K	Joback Calculated Property
Tfus	327.73	K	Joback Calculated Property
Vc	0.502	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.26; 431.42]	J/mol×K	[491.18; 718.92]
Cp,gas	326.26	J/mol×K	491.18	Joback Calculated Property
Cp,gas	347.19	J/mol×K	529.14	Joback Calculated Property
Cp,gas	366.61	J/mol×K	567.09	Joback Calculated Property
Cp,gas	384.63	J/mol×K	605.05	Joback Calculated Property
Cp,gas	401.37	J/mol×K	643.01	Joback Calculated Property
Cp,gas	416.93	J/mol×K	680.97	Joback Calculated Property
Cp,gas	431.42	J/mol×K	718.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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