Chemical Properties of 2-[(1-methyl-2-oxopropyl)-trithio]-3-pentanone

InChI

InChI=1S/C9H16O2S3/c1-5-9(11)8(4)13-14-12-7(3)6(2)10/h7-8H,5H2,1-4H3

InChI Key

MCCKMSMZABNXEW-UHFFFAOYSA-N

Formula

C9H16O2S3

SMILES

CCC(=O)C(C)SSSC(C)C(C)=O

Molecular Weight¹

252.42

• 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°	-138.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-339.20	kJ/mol	Joback Calculated Property
ΔfusH°	27.61	kJ/mol	Joback Calculated Property
ΔvapH°	68.80	kJ/mol	Joback Calculated Property
log10WS	-4.01		Crippen Calculated Property
logPoct/wat	3.361		Crippen Calculated Property
McVol	189.860	ml/mol	McGowan Calculated Property
Pc	2802.44	kPa	Joback Calculated Property
Inp	[1820.00; 1820.00]
Inp	1820.00		NIST
Inp	1820.00		NIST
Tboil	718.52	K	Joback Calculated Property
Tc	960.85	K	Joback Calculated Property
Tfus	364.25	K	Joback Calculated Property
Vc	0.702	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.70; 536.09]	J/mol×K	[718.52; 960.85]
Cp,gas	473.70	J/mol×K	718.52	Joback Calculated Property
Cp,gas	486.78	J/mol×K	758.91	Joback Calculated Property
Cp,gas	498.79	J/mol×K	799.30	Joback Calculated Property
Cp,gas	509.73	J/mol×K	839.69	Joback Calculated Property
Cp,gas	519.59	J/mol×K	880.07	Joback Calculated Property
Cp,gas	528.38	J/mol×K	920.46	Joback Calculated Property
Cp,gas	536.09	J/mol×K	960.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-[(1-methyl-2-oxopropyl)-trithio]-3-pentanone.

Sources

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

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