Pentanoic acid, 1-methylpentyl ester supplier

Name
hexan-2-yl pentanoate
EINECS
CAS No. 7150-92-7
Density 0.87 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₂O₂
Boiling Point 214.2 °C at 760 mmHg
Molecular Weight 186.29
Flash Point 82.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 53793;Hexan-2-yl pentanoate;
PSA 26.30000
LogP 3.29850

Pentanoic acid, 1-methylpentyl ester Specification

The Pentanoic acid, 1-methylpentyl ester has the CAS registry number 7150-92-7. This chemical's molecular formula is C₁₁H₂₂O₂ and molecular weight is 186.29. What's more, its systematic name is Hexan-2-yl pentanoate.

Physical properties of Pentanoic acid, 1-methylpentyl ester are: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.425; (8)Molar Refractivity: 54.74 cm³; (9)Molar Volume: 213.9 cm³; (10)Polarizability: 21.7×10^-24cm³; (11)Surface Tension: 27.9 dyne/cm; (12)Density: 0.87 g/cm³; (13)Flash Point: 82.9 °C; (14)Enthalpy of Vaporization: 45.05 kJ/mol; (15)Boiling Point: 214.2 °C at 760 mmHg; (16)Vapour Pressure: 0.158 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(CCCC)C)CCCC
(2)InChI: InChI=1/C11H22O2/c1-4-6-8-10(3)13-11(12)9-7-5-2/h10H,4-9H2,1-3H3
(3)InChIKey: ZTFOJUWOBGLQSG-UHFFFAOYSA-N

Product Name

hexan-2-yl pentanoate

Pentanoic acid, 1-methylpentyl ester Specification

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