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1607-01-8

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Basic Information
CAS No.: 1607-01-8
Name: Pentaerythritol dinitrate
Article Data: 7
Molecular Structure:
Molecular Structure of 1607-01-8 (Pentaerythritol dinitrate)
Formula: C5H10N2O8
Molecular Weight: 226.143
Synonyms: Pentaerythritol,dinitrate (7CI,8CI);1,3-Propanediol,2,2-bis(hydroxymethyl)-, 1,3-dinitrate;
Density: 1.565 g/cm3
Boiling Point: 232.4 °C at 760 mmHg
Flash Point: 94.3 °C
PSA: 150.56000
LogP: -0.57960
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Chemistry

Molecule structure of Pentaerythritol dinitrate (CAS NO.1607-01-8):

IUPAC Name: [2,2-Bis(hydroxymethyl)-3-nitrooxypropyl] nitrate 
Molecular Weight: 226.1415 g/mol
Molecular Formula: C5H10N2O8 
Density: 1.565 g/cm3 
Boiling Point: 232.4 °C at 760 mmHg 
Flash Point: 94.3 °C
Index of Refraction: 1.518
Molar Refractivity: 43.78 cm3
Molar Volume: 144.4 cm3
Surface Tension: 68.8 dyne/cm 
Enthalpy of Vaporization: 54.53 kJ/mol
Vapour Pressure: 0.0111 mmHg at 25 °C
XLogP3-AA: -0.5
H-Bond Donor: 2
H-Bond Acceptor: 8
Rotatable Bond Count: 6
Exact Mass: 226.043715
MonoIsotopic Mass: 226.043715
Topological Polar Surface Area: 145
Heavy Atom Count: 15
Canonical SMILES: C(C(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-])O
InChI: InChI=1S/C5H10N2O8/c8-1-5(2-9,3-14-6(10)11)4-15-7(12)13/h8-9H,1-4H2
InChIKey of Pentaerythritol dinitrate (CAS NO.1607-01-8): LHSHCLPXMPQXCS-UHFFFAOYSA-N

Specification

 Pentaerythritol dinitrate (CAS NO.1607-01-8) is also named as PE2N cpd ; Pentaerythritol, dinitrate .