Chemical Properties of Sarcolysin (CAS 531-76-0)

Sarcolysin

InChI
InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)
InChI Key
SGDBTWWWUNNDEQ-UHFFFAOYSA-N
Formula
C13H18Cl2N2O2
SMILES
NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
Molecular Weight1
305.20
CAS
531-76-0
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Physical Properties

Property Value Unit Source
ΔfusH° 46.31 kJ/mol Joback Calculated Property
IE 7.74 eV Relay (1.0) Calculated Property
log10WS -3.45 Relay (1.0) Calculated Property
logPoct/wat 1.925 Crippen Calculated Property
McVol 222.150 ml/mol McGowan Calculated Property
Tfus 455.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [302.55; 670.31] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.03500e+00
Coefficient B1.35650e+00
Coefficient C-9.20160e-04
Coefficient D2.38000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 302.55 J/mol×K 273.00 Calculated Property
Cp,gas 371.24 J/mol×K 353.78 Calculated Property
Cp,gas 431.21 J/mol×K 434.56 Calculated Property
Cp,gas 483.22 J/mol×K 515.33 Calculated Property
Cp,gas 528.03 J/mol×K 596.11 Calculated Property
Cp,gas 566.38 J/mol×K 676.89 Calculated Property
Cp,gas 599.03 J/mol×K 757.67 Calculated Property
Cp,gas 626.73 J/mol×K 838.44 Calculated Property
Cp,gas 650.24 J/mol×K 919.22 Calculated Property
Cp,gas 670.30 J/mol×K 1000.00 Calculated Property

Similar Compounds

Morphinan-3-ol, 4,5-epoxy-17-methyl-, (5.alpha.)-. Thymidine, 3'-O-TFA, 5'-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-TMS. 5'-O-(tert-butyldimethylsilyl)-thymidine. Thymidine, 3'-O-TMS, 5'-O-TBDMS. Thymidine, 3',5'-bis(O-TBDMSi). APRINDINE, M(HO-), AC. Galathan, 1,2,3,12,15,16-hexadehydro-9,10-[methylenebis(oxy)]-. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-tertbutylsilyl. inosine-5'-monophosphate, TMS. xanthosine-5'-monophosphate, TMS. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-cyclotetramethylene-tertbutylsilyl. Hydromorphone. Hydrastine. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TBDMS.

Find more compounds similar to Sarcolysin.

Sources

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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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