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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.38	kJ/mol	Joback Calculated Property
logPoct/wat	0.986		Crippen Calculated Property
McVol	94.550	ml/mol	McGowan Calculated Property
Inp	[862.00; 862.00]
Inp	862.00		NIST
Inp	862.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[157.51; 197.07]	J/mol×K	[385.90; 605.30]
Cp,gas	157.51	J/mol×K	385.90	Joback Calculated Property
Cp,gas	165.15	J/mol×K	422.47	Joback Calculated Property
Cp,gas	172.34	J/mol×K	459.03	Joback Calculated Property
Cp,gas	179.11	J/mol×K	495.60	Joback Calculated Property
Cp,gas	185.47	J/mol×K	532.16	Joback Calculated Property
Cp,gas	191.45	J/mol×K	568.73	Joback Calculated Property
Cp,gas	197.07	J/mol×K	605.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dipropargyl sulfide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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