Cyclohexanecarboxylicacid, hexyl ester supplier

Name
hexyl cyclohexanecarboxylate
EINECS 248-744-7
CAS No. 27948-10-3
Article Data10
CAS DataBase
Density 0.937 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₄O₂
Boiling Point 265.1 °C at 760 mmHg
Molecular Weight 212.332
Flash Point 104.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Hexanolcyclohexanecarboxylate;Hexyl cyclohexanecarboxylate;
PSA 26.30000
LogP 3.69020

Cyclohexanecarboxylicacid, hexyl ester Specification

The Cyclohexanecarboxylicacid, hexyl ester, with the CAS registry number 27948-10-3, is also known as 1-Hexanolcyclohexanecarboxylate. Its EINECS registry number is 248-744-7. This chemical's molecular formula is C₁₃H₂₄O₂ and molecular weight is 212.32846. What's more, both its IUPAC name and systematic name are the same which is called Hexyl cyclohexanecarboxylate.

Physical properties about Cyclohexanecarboxylicacid, hexyl ester are: (1) ACD/LogP: 4.89; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.89; (4) ACD/LogD (pH 7.4): 4.89; (5) ACD/BCF (pH 5.5): 3082.7; (6) ACD/BCF (pH 7.4): 3082.7; (7) ACD/KOC (pH 5.5): 10938.86; (8) ACD/KOC (pH 7.4): 10938.86; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 26.3 Å²; (13) Index of Refraction: 1.457; (14) Molar Refractivity: 61.78 cm³; (15) Molar Volume: 226.6 cm³; (16) Polarizability: 24.49×10^-24 cm³; (17) Surface Tension: 33.3 dyne/cm; (18) Density: 0.937 g/cm³; (19) Flash Point: 104.6 °C; (20) Enthalpy of Vaporization: 50.3 kJ/mol; (21) Boiling Point: 265.1 °C at 760 mmHg; (22) Vapour Pressure: 0.00935 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCC)C1CCCCC1
(2) InChI: InChI=1/C13H24O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h12H,2-11H2,1H3
(3) InChIKey: QNVYTFRSSXVBQH-UHFFFAOYAE

Product Name

hexyl cyclohexanecarboxylate

Cyclohexanecarboxylicacid, hexyl ester Specification

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