Chemical Properties of Thiocyanic acid, methylene ester (CAS 6317-18-6)

InChI

InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2

InChI Key

JWZXKXIUSSIAMR-UHFFFAOYSA-N

Formula

C3H2N2S2

SMILES

N#CSCSC#N

Molecular Weight¹

130.19

CAS

6317-18-6

Other Names

• Antiblu 3737
• Busan 110
• Dithiocyanatomethane
• Methane, dithiocyanato-
• Methylendirhodanid
• Methylendithiokyanat
• Methylene bis(thiocyanate)
• Methylene dithiocyanate
• Methylene ester of thiocyanic acid
• Methylene thiocyanate
• Methylenedirhodanid
• Methylenedirhodanide
• N-948 Biocide
• NSC 40464
• Nalco D-1994
• Nalfloc N 206
• Proxel MB
• Slimicide MC
• Thiocyanic acid, C,C'-methylene ester
• Tolcide MBT
• V 709

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[112.88; 180.24]	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			7.33610e+01
Coefficient B			1.47180e-01
Coefficient C			3.00000e-06
Coefficient D			-4.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.88	J/mol×K	273.00	Calculated Property
Cp,gas	123.89	J/mol×K	353.78	Calculated Property
Cp,gas	134.33	J/mol×K	434.56	Calculated Property
Cp,gas	144.08	J/mol×K	515.33	Calculated Property
Cp,gas	152.99	J/mol×K	596.11	Calculated Property
Cp,gas	160.93	J/mol×K	676.89	Calculated Property
Cp,gas	167.76	J/mol×K	757.67	Calculated Property
Cp,gas	173.35	J/mol×K	838.44	Calculated Property
Cp,gas	177.56	J/mol×K	919.22	Calculated Property
Cp,gas	180.24	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Thiocyanic acid, methylene ester.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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