Chemical Properties of 2,4-Dimethyl-5,6-dithia-2,7-nonadienal

InChI

InChI=1S/C9H14OS2/c1-4-5-11-12-9(3)6-8(2)7-10/h4-7,9H,1-3H3/b5-4+,8-6+

InChI Key

HEONUJXIZOQNOR-DVBIZMGNSA-N

Formula

C9H14OS2

SMILES

CC=CSSC(C)C=C(C)C=O

Molecular Weight¹

202.34

• 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	0.3494		Relay (1.0) Calculated Property
ΔfG°	141.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-104.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.19	kJ/mol	Joback Calculated Property
ΔvapH°	68.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-2.71		Relay (1.0) Calculated Property
logPoct/wat	3.435		Crippen Calculated Property
McVol	163.340	ml/mol	McGowan Calculated Property
Pc	2899.85	kPa	Joback Calculated Property
Inp	[1529.00; 1563.00]
Inp	1529.00		NIST
Inp	1536.00		NIST
Inp	1563.00		NIST
Inp	1529.00		NIST
Tboil	533.99	K	Relay (1.0) Calculated Property
Tc	738.43	K	Relay (1.0) Calculated Property
Tfus	251.82	K	Relay (1.0) Calculated Property
Vc	0.531	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[366.64; 433.69]	J/mol×K	[599.30; 832.77]
Cp,gas	366.64	J/mol×K	599.30	Joback Calculated Property
Cp,gas	379.88	J/mol×K	638.21	Joback Calculated Property
Cp,gas	392.23	J/mol×K	677.12	Joback Calculated Property
Cp,gas	403.74	J/mol×K	716.03	Joback Calculated Property
Cp,gas	414.45	J/mol×K	754.94	Joback Calculated Property
Cp,gas	424.42	J/mol×K	793.86	Joback Calculated Property
Cp,gas	433.69	J/mol×K	832.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dimethyl-5,6-dithia-2,7-nonadienal.

Sources

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

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