Chemical Properties of Dipropargyl sulfide (CAS 13702-09-5)

InChI

InChI=1S/C6H6S/c1-3-5-7-6-4-2/h1-2H,5-6H2

InChI Key

XPTMJJIPRSWBDK-UHFFFAOYSA-N

Formula

C6H6S

SMILES

C#CCSCC#C

Molecular Weight¹

110.18

CAS

13702-09-5

Other Names

• 3-(2-Propynylsulfanyl)-1-propyne
• 4-Thia-1,6-heptadiyne

• 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°	478.90	kJ/mol	Joback Calculated Property
ΔfH°gas	458.50	kJ/mol	Joback Calculated Property
ΔfusH°	21.38	kJ/mol	Joback Calculated Property
ΔvapH°	35.48	kJ/mol	Joback Calculated Property
log10WS	-1.81		Crippen Calculated Property
logPoct/wat	0.986		Crippen Calculated Property
McVol	94.550	ml/mol	McGowan Calculated Property
Pc	4559.21	kPa	Joback Calculated Property
Inp	[862.00; 862.00]
Inp	862.00		NIST
Inp	862.00		NIST
Tboil	385.70	K	Joback Calculated Property
Tc	604.98	K	Joback Calculated Property
Tfus	285.72	K	Joback Calculated Property
Vc	0.349	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.46; 197.02]	J/mol×K	[385.70; 604.98]
Cp,gas	157.46	J/mol×K	385.70	Joback Calculated Property
Cp,gas	165.10	J/mol×K	422.25	Joback Calculated Property
Cp,gas	172.29	J/mol×K	458.79	Joback Calculated Property
Cp,gas	179.06	J/mol×K	495.34	Joback Calculated Property
Cp,gas	185.43	J/mol×K	531.89	Joback Calculated Property
Cp,gas	191.41	J/mol×K	568.44	Joback Calculated Property
Cp,gas	197.02	J/mol×K	604.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dipropargyl sulfide.

Sources

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

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