Heptanoic acid,4-methyl- supplier

Name
4-METHYLHEPTANOIC ACID
EINECS
CAS No. 3302-03-2
Article Data6
CAS DataBase
Density 0.927 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₂
Boiling Point 234.584 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 116.564 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methylheptanoicacid;
PSA 37.30000
LogP 2.28740

Heptanoic acid,4-methyl- Specification

The Heptanoic acid,4-methyl-, with the CAS registry number 3302-03-2, is also known as 4-Methylheptanoic acid. This chemical's molecular formula is C₈H₁₆O₂ and molecular weight is 144.21. It is an organic compound.

Physical properties of Heptanoic acid,4-methyl- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 116; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 40.635 cm³; (15)Molar Volume: 155.592 cm³; (16)Polarizability: 16.109×10^-24 cm³; (17)Surface Tension: 31.844 dyne/cm; (18)Density: 0.927 g/cm³; (19)Flash Point: 116.564 °C; (20)Enthalpy of Vaporization: 51.916 kJ/mol; (21)Boiling Point: 234.584 °C at 760 mmHg; (22)Vapour Pressure: 0.018 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCC(C)CCC(O)=O
(2)InChI: InChI=1/C8H16O2/c1-3-4-7(2)5-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
(3)InChIKey: LXHFVSWWDNNDPW-UHFFFAOYAN

Product Name

4-METHYLHEPTANOIC ACID

Heptanoic acid,4-methyl- Specification

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