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| CAS No.: | 1461-97-8 |
|---|---|
| Name: | trans-DL-1,2-Cyclopentanedicarboxylic acid |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H10O4 |
| Molecular Weight: | 158.154 |
| Synonyms: | 1,2-Cyclopentanedicarboxylicacid, trans- (8CI);trans-1,2-Cyclopentanedicarboxylic acid;cyclopentane-1,2-dicarboxylic acid;1,2-Cyclopentanedicarboxylic acid, (1S-trans)-;1,2-cyclopentanedicarboxylate;trans-1,2-Cyclopentanedicarboxylate;1,2-Cyclopentanedicarboxylic acid;Cyclopentane-1,2-dicarboxylic acid; |
| EINECS: | 215-962-9 |
| Density: | 1.397 g/cm3 |
| Melting Point: | 163-165 °C(lit.) |
| Boiling Point: | 378.598 °C at 760 mmHg |
| Flash Point: | 196.945 °C |
| PSA: | 74.60000 |
| LogP: | 0.57190 |
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Specification
The trans-DL-1,2-Cyclopentanedicarboxylic acid, with the CAS registry number 1461-97-8 and EINECS registry number 215-962-9, has the systematic name and IUPAC name of cyclopentane-1,2-dicarboxylic acid. It belongs to the following product categories: Carboxylic Acid Monomers; Monomers; Polymer Science. And the molecular formula of the chemical is C7H10O4.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -4.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 35.27 cm3; (15)Molar Volume: 113.2 cm3; (16)Polarizability: 13.98×10-24cm3; (17)Surface Tension: 64.6 dyne/cm; (18)Density: 1.396 g/cm3; (19)Flash Point: 196.9 °C; (20)Enthalpy of Vaporization: 68.79 kJ/mol; (21)Boiling Point: 378.6 °C at 760 mmHg; (22)Vapour Pressure: 8.88E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C1CCCC1C(=O)O
(2)InChI: InChI=1/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)
(3)InChIKey: ASJCSAKCMTWGAH-UHFFFAOYAK