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CAS No.: | 84143-36-2 |
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Name: | Hept-3-ene-1,7-diol |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H14O2 |
Molecular Weight: | 130.187 |
Density: | 0.98 g/cm3 |
Boiling Point: | 251.5 °C at 760 mmHg |
Flash Point: | 118.9 °C |
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The IUPAC name of this chemical is Hept-3-ene-1,7-diol. The CAS registry number is 84143-36-2. In addition, the molecular formula is C7H14O2 and the molecular weight is 130.18. It should be stored in a cool and dry place.
Physical properties about Hept-3-ene-1,7-diol are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.478; (8)Molar Refractivity: 37.6 cm3; (9)Molar Volume: 132.7 cm3; (10)Polarizability: 14.9 ×10-24cm3; (11)Surface Tension: 38.8 dyne/cm; (12)Density: 0.98 g/cm3; (13)Flash Point: 118.9 °C; (14)Enthalpy of Vaporization: 56.78 kJ/mol; (15)Boiling Point: 251.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00321 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCC=CCCCO
(2)InChI: InChI=1/C7H14O2/c8-6-4-2-1-3-5-7-9/h1-2,8-9H,3-7H2
(3)InChIKey: DOOJAFNLRWSMQE-UHFFFAOYAZ