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30673-60-0

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Basic Information
CAS No.: 30673-60-0
Name: N-PROPYL DECANOATE
Article Data: 7
Molecular Structure:
Molecular Structure of 30673-60-0 (N-PROPYL DECANOATE)
Formula: C13H26O2
Molecular Weight: 214.348
Synonyms: Propylcaprate;Propyl decanoate;
EINECS: 250-283-1
Density: 0.869 g/cm3
Boiling Point: 258.6 ºC at 760 mmHg
Flash Point: 109.6 ºC
Appearance: Colorless liquid
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 26.30000
LogP: 4.08030
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Specification

The Propyl decanoate, with cas registry number of 30673-60-0 and EINECS registry number of 250-283-1, is also called capricacidpropylester. Its IUPAC name and systematic name are same which is called Propyl decanoate. The chemical's molecular fomula is C13H26O2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 5.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.49; (4)ACD/LogD (pH 7.4): 5.49; (5)ACD/BCF (pH 5.5): 8765.5; (6)ACD/BCF (pH 7.4): 8765.5; (7)ACD/KOC (pH 5.5): 23111.58; (8)ACD/KOC (pH 7.4): 23111.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 64.05 cm3; (15)Molar Volume: 246.6 cm3; (16)Polarizability: 25.39×10-24cm3; (17)Surface Tension: 29.3 dyne/cm; (18)Density: 0.869 g/cm3; (19)Flash Point: 109.6 °C; (20)Enthalpy of Vaporization: 49.62 kJ/mol; (21)Boiling Point: 258.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0136 mmHg at 25°C.        

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCC)CCCCCCCCC
(2)InChI: InChI=1/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3
(3)InChIKey: OVFMRFMJVFDSAA-UHFFFAOYAX