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4074-23-1

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Basic Information
CAS No.: 4074-23-1
Name: 1,3,5-TRIMETHYL-1,4-CYCLOHEXADIENE
Article Data: 6
Molecular Structure:
Molecular Structure of 4074-23-1 (1,3,5-TRIMETHYL-1,4-CYCLOHEXADIENE)
Formula: C9H14
Molecular Weight: 122.21
Synonyms: 1,3,5-Trimethylcyclohexa-1,4-diene;
Density: 0.82 g/cm3
Boiling Point: 149.565 °C at 760 mmHg
Flash Point: 28.861 °C
Solubility: Insoluble in water.
PSA: 0.00000
LogP: 2.91880
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Specification

The 1,4-Cyclohexadiene, 1,3,5-trimethyl- is an organic compound with the formula C9H14. The systematic name of this chemical is 1,3,5-Trimethylcyclohexa-1,4-diene. The CAS registry number of this chemical is 4074-23-1. Besides, its molecular weight is 122.21.

The physical properties of 1,4-Cyclohexadiene, 1,3,5-trimethyl- are: (1)ACD/LogP: 3.92; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 614; (5)ACD/BCF (pH 7.4): 614; (6)ACD/KOC (pH 5.5): 3448; (7)ACD/KOC (pH 7.4): 3448; (8)Index of Refraction: 1.462; (9)Molar Refractivity: 40.994 cm3; (10)Molar Volume: 149.001 cm3; (11)Polarizability: 16.251×10-24 cm3; (12)Surface Tension: 23.082 dyne/cm; (13)Density: 0.82 g/cm3; (14)Flash Point: 28.861 °C; (15)Enthalpy of Vaporization: 37.055 kJ/mol; (16)Boiling Point: 149.565 °C at 760 mmHg; (17)Vapour Pressure: 5.091 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1(=C/C(/C=C(/C)C1)C)\C
(2)InChI: InChI=1/C9H14/c1-7-4-8(2)6-9(3)5-7/h4-5,7H,6H2,1-3H3
(3)InChIKey: FWNSPYIKHBSEAH-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H14/c1-7-4-8(2)6-9(3)5-7/h4-5,7H,6H2,1-3H3
(5)Std. InChIKey: FWNSPYIKHBSEAH-UHFFFAOYSA-N