Chemical Properties of Prop-1-enyl dithiopropanonate

InChI

InChI=1S/C6H10S2/c1-3-5-8-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+

InChI Key

HGWSQZSABMPVRF-HWKANZROSA-N

Formula

C6H10S2

SMILES

CC=CSC(=S)CC

Molecular Weight¹

146.27

Other Names

• dithio(1-propenyl) propionate

• 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 : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.23	kJ/mol	Joback Calculated Property
logPoct/wat	2.991		Crippen Calculated Property
McVol	119.500	ml/mol	McGowan Calculated Property
I	[1448.00; 1462.00]
I	1462.00		NIST
I	1448.00		NIST
I	1451.00		NIST
I	1451.00		NIST
I	1462.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.40; 319.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.73900e+00
Coefficient B			6.95620e-01
Coefficient C			-5.57600e-04
Coefficient D			1.86500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.40	J/mol×K	273.00	Calculated Property
Cp,gas	179.83	J/mol×K	353.78	Calculated Property
Cp,gas	207.55	J/mol×K	434.56	Calculated Property
Cp,gas	231.18	J/mol×K	515.33	Calculated Property
Cp,gas	251.29	J/mol×K	596.11	Calculated Property
Cp,gas	268.48	J/mol×K	676.89	Calculated Property
Cp,gas	283.33	J/mol×K	757.67	Calculated Property
Cp,gas	296.44	J/mol×K	838.44	Calculated Property
Cp,gas	308.39	J/mol×K	919.22	Calculated Property
Cp,gas	319.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Prop-1-enyl dithiopropanonate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.