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CAS No.: | 27137-33-3 |
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Name: | DICYCLOPENTENYL ALCOHOL |
Molecular Structure: | |
Formula: | C10H18O |
Molecular Weight: | 150.22 |
Synonyms: | 4,7-Methanoindenol,3α,4,5,6,7,7α-hexahydro- (8CI);3α,4,5,6,7,7α-Hexahydro-4,7-methano-1H-indenol;Dicyclopentadiene alcohol;Dicyclopentadienol;Dicyclopentenyl alcohol;Dihydrodicyclopentadienol;Hydroxydicyclopentadiene;Hydroxydihydrodicyclopentadiene;TCD-Alcohol E; |
EINECS: | 248-252-2 |
Density: | 1.157 g/cm3 |
Boiling Point: | 245.9 °C at 760 mmHg |
Flash Point: | 90.2 °C |
PSA: | 20.23000 |
LogP: | 1.57940 |
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The systematic name of Dicyclopentenyl alcohol is 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-. With the CAS registry number 27137-33-3, it is also named as Hydroxy dicyclopentadiene. The product's other registry numbers are 212619-75-5; 52297-00-4; 63139-69-5; 79121-71-4. In addition, its molecular formula is C10H18O and molecular weight is 150.22.
The other characteristics of Dicyclopentenyl alcohol can be summarized as: (1)EINECS: 248-252-2; (2)ACD/LogP: 1.73; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.73; (5)ACD/LogD (pH 7.4): 1.73; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 20.23 Å2; (10)Index of Refraction: 1.583; (11)Molar Refractivity: 43.41 cm3; (12)Molar Volume: 129.7 cm3; (13)Polarizability: 17.21×10-24cm3; (14)Surface Tension: 44.9 dyne/cm; (15)Density: 1.157 g/cm3; (16)Flash Point: 90.2 °C; (17)Enthalpy of Vaporization: 56.13 kJ/mol; (18)Boiling Point: 245.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00462 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1C=CC2C1C3CC2C(C3)O
(2)InChI: InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-11H,2,4-5H2
(3)InChIKey: LDUKQFUHJZHLRC-UHFFFAOYSA-N