Chemical Properties of Ibp (CAS 13286-32-3)

Ibp

InChI
InChI=1S/C11H17O3PS/c1-3-13-15(12,14-4-2)16-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChI Key
XFMJUIKWKVJNDY-UHFFFAOYSA-N
Formula
C11H17O3PS
SMILES
CCOP(=O)(OCC)SCc1ccccc1
Molecular Weight1
260.29
CAS
13286-32-3
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Physical Properties

Property Value Unit Source
ΔfH°gas -491.70 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 84.60 kJ/mol Relay (1.0) Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
log10WS -2.57 Relay (1.0) Calculated Property
logPoct/wat 4.101 Crippen Calculated Property
McVol 196.510 ml/mol McGowan Calculated Property
Tboil 601.16 K Relay (1.0) Calculated Property
Tfus 244.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 440.50 ± 2.50 K 0.30 NIST

Similar Compounds

Iprobenfos. Fenthoate oxon. Phenthoate. Coumafuryl. PYRROLO[1,2-A]PYRAZINE-1,4-DIONE, HEXAHYDRO-3-(PHENYLMETHYL)-. L-Phe-L-Pro lactam. 2,4-Pregnadien-(2,3-d)isoxazol-17.alpha.-ethynyl-17.beta.-ol, TMS. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy. Scopoletin «beta»-D-glucopyranoside, TFA. Serotonin, N-isoBOC, O-TBDMS. Alpha,d-glucopyranoside, 2-acetamido-2-deoxy-. Dimetindene. Pentazocine tms derivative. Pentazocine, trimethylsilyl ether. N-ACETYL-D-GLUCOSAMINE.

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Sources

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