Chemical Properties of 3,3-dimethyl-4-thianonane

InChI

InChI=1S/C10H22S/c1-5-7-8-9-11-10(3,4)6-2/h5-9H2,1-4H3

InChI Key

UAUQTCDDTCHXRU-UHFFFAOYSA-N

Formula

C10H22S

SMILES

CCCCCSC(C)(C)CC

Molecular Weight¹

174.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-223.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.37	kJ/mol	Joback Calculated Property
ΔvapH°	56.02	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.098		Crippen Calculated Property
McVol	168.110	ml/mol	McGowan Calculated Property
Pc	2179.52	kPa	Joback Calculated Property
Inp	[1189.00; 1189.00]
Inp	1189.00		NIST
Inp	1189.00		NIST
Inp	1189.00		NIST
Inp	1189.00		NIST
Tboil	475.08	K	Relay (1.0) Calculated Property
Tc	667.67	K	Relay (1.0) Calculated Property
Tfus	198.06	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[378.76; 468.56]	J/mol×K	[493.95; 687.15]
Cp,gas	378.76	J/mol×K	493.95	Joback Calculated Property
Cp,gas	395.76	J/mol×K	526.15	Joback Calculated Property
Cp,gas	411.91	J/mol×K	558.35	Joback Calculated Property
Cp,gas	427.23	J/mol×K	590.55	Joback Calculated Property
Cp,gas	441.76	J/mol×K	622.75	Joback Calculated Property
Cp,gas	455.52	J/mol×K	654.95	Joback Calculated Property
Cp,gas	468.56	J/mol×K	687.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,3-dimethyl-4-thianonane.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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