3-Octyne, 7-methyl- supplier | CasNO.37050-06-9

Name
7-METHYL-3-OCTYNE
EINECS
CAS No. 37050-06-9
Density 0.772 g/cm³
Solubility
Melting Point -49.99°C (estimate)
Formula C₉H₁₆
Boiling Point 145.3 °C at 760 mmHg
Molecular Weight 124.226
Flash Point 30.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Methyl-3-octyne;
PSA 0.00000
LogP 2.83600

3-Octyne, 7-methyl- Specification

This chemical is called 3-Octyne, 7-methyl-, and its systematic name is 7-methyloct-3-yne. With the molecular formula of C₉H₁₆, its molecular weight is 124.22. The CAS registry number of this chemical is 37050-06-9.

Other characteristics of the 3-Octyne, 7-methyl- can be summarised as followings: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 574.02; (6)ACD/BCF (pH 7.4): 574.02; (7)ACD/KOC (pH 5.5): 3284.28; (8)ACD/KOC (pH 7.4): 3284.28; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.432; (13)Molar Refractivity: 41.7 cm³; (14)Molar Volume: 160.7 cm³; (15)Polarizability: 16.53×10^-24cm³; (16)Surface Tension: 26.7 dyne/cm; (17)Density: 0.772 g/cm³; (18)Flash Point: 30.6 °C; (19)Enthalpy of Vaporization: 36.66 kJ/mol; (20)Boiling Point: 145.3 °C at 760 mmHg; (21)Vapour Pressure: 6.16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: C(#CCCC(C)C)CC
2.InChI: InChI=1/C9H16/c1-4-5-6-7-8-9(2)3/h9H,4,7-8H2,1-3H3
3.InChIKey: ZDXUMWBWHSCWBK-UHFFFAOYAX

Product Name

7-METHYL-3-OCTYNE

3-Octyne, 7-methyl- Specification

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