Chemical Properties of Sulforaphane nitrile (CAS 61121-66-2)

Sulforaphane nitrile

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H11NOS/c1-9(8)6-4-2-3-5-7/h2-4,6H2,1H3
InChI Key
FGYQUFZANKOISC-UHFFFAOYSA-N
Formula
C6H11NOS
SMILES
CS(=O)CCCCC#N
Molecular Weight1
145.22
CAS
61121-66-2
Other Names
  • 5-(Methylsulfinyl)pentanenitrile
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -84.89 kJ/mol Joback Calculated Property
Δfgas -208.03 kJ/mol Joback Calculated Property
Δfus 20.56 kJ/mol Joback Calculated Property
Δvap 52.15 kJ/mol Joback Calculated Property
log10WS -0.84 Crippen Calculated Property
logPoct/wat 1.059 Crippen Calculated Property
McVol 119.000 ml/mol McGowan Calculated Property
Pc 3329.68 kPa Joback Calculated Property
Inp [1520.00; 1520.00]   Show Hide
Inp 1520.00 NIST
Inp 1520.00 NIST
Tboil 497.04 K Joback Calculated Property
Tc 693.88 K Joback Calculated Property
Tfus 258.85 K Joback Calculated Property
Vc 0.487 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [247.63; 301.03] J/mol×K [497.04; 693.88] Show Hide
Cp,gas 247.63 J/mol×K 497.04 Joback Calculated Property
Cp,gas 257.62 J/mol×K 529.85 Joback Calculated Property
Cp,gas 267.18 J/mol×K 562.65 Joback Calculated Property
Cp,gas 276.30 J/mol×K 595.46 Joback Calculated Property
Cp,gas 284.98 J/mol×K 628.27 Joback Calculated Property
Cp,gas 293.22 J/mol×K 661.08 Joback Calculated Property
Cp,gas 301.03 J/mol×K 693.88 Joback Calculated Property

Similar Compounds

2H-Thiopyran, tetrahydro-, 1-oxide. Pentanenitrile, 5-(methylthio)-. Butane, 1-(methylsulfinyl)-. 4-(Methylsulfinyl)butanenitrile. 2H-Thiopyran, tetrahydro-, 1,1-dioxide. Butane, 1-(methylsulfonyl)-. 6-(Methylthio)hexanenitrile. 7-Methylthioheptanenitrile. 8-Methylthiooctanonitrile. 9-(Methylthio)nonanonitrile. Octane, 1,1'-sulfonylbis-. Alyssin. Butane, 1,1'-sulfinylbis-. Butane, 1-(ethylsulfinyl)-. Butane, 3-methyl-1-(methylsulfinyl)-.

Find more compounds similar to Sulforaphane nitrile.

Sources

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.