2-Pentanol, 2-methyl-,2-nitrate supplier

Name
2-methylpentan-2-yl nitrate
EINECS
CAS No. 133764-33-7
Density 1.002g/cm³
Solubility
Melting Point
Formula C₆H₁₃NO₃
Boiling Point 166.8 °C at 760 mmHg
Molecular Weight 147.1723
Flash Point 53.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pentanol,2-methyl-, nitrate (9CI);
PSA
LogP

2-Pentanol, 2-methyl-,2-nitrate Specification

The 2-Pentanol, 2-methyl-,2-nitrate, with CAS registry number 133764-33-7, has the systematic name of 2-methylpentan-2-yl nitrate. Its IUPAC name is the same one. And the chemical formula of this chemical is C₆H₁₃NO₃.

Physical properties of 2-Pentanol, 2-methyl-,2-nitrate: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 85.83; (6)ACD/BCF (pH 7.4): 85.83; (7)ACD/KOC (pH 5.5): 842.78; (8)ACD/KOC (pH 7.4): 842.78; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 37.57 cm³; (15)Molar Volume: 146.7 cm³; (16)Polarizability: 14.89×10^-24cm³; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 1.002 g/cm³; (19)Flash Point: 53.8 °C; (20)Enthalpy of Vaporization: 38.67 kJ/mol; (21)Boiling Point: 166.8 °C at 760 mmHg; (22)Vapour Pressure: 2.31 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])OC(C)(C)CCC
(2)InChI: InChI=1/C6H13NO3/c1-4-5-6(2,3)10-7(8)9/h4-5H2,1-3H3
(3)InChIKey: LFIPHSRTIDHJFT-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H13NO3/c1-4-5-6(2,3)10-7(8)9/h4-5H2,1-3H3
(5)Std. InChIKey: LFIPHSRTIDHJFT-UHFFFAOYSA-N

Product Name

2-methylpentan-2-yl nitrate

2-Pentanol, 2-methyl-,2-nitrate Specification

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