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25135-73-3

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Basic Information
CAS No.: 25135-73-3
Name: 1,3-Benzenedicarboxylic acid, dimethyl ester, polymer with dimethyl-1,4-benzenedicarboxylate and 1,2-ethanediol
Molecular Structure:
Molecular Structure of 25135-73-3 (1,3-Benzenedicarboxylic acid, dimethyl ester, polymer with dimethyl-1,4-benzenedicarboxylate and 1,2-ethanediol)
Formula: C22H26O10
Molecular Weight: 450.4358
Synonyms: dimethyl benzene-1,3-dicarboxylate; 2,3-dimethylterephthalic acid; ethane-1,2-diol;1,3-Benzenedicarboxylic acid, dimethyl ester, polymer with dimethyl1,4-benzenedicarboxylate and 1,2-ethanediol;1,3-Benzenedicarboxylic acid, dimethyl ester, polymer with dimethyl 1,4-benzenedicarboxylate and 1,2-ethanediol;Ethylene glycol, isophthalic acid, dimethyl ester, terephthalic acid, dimethyl ester polyester;
EINECS: 203-652-6
Melting Point: 230 °C
Boiling Point: 285 °C at 760 mmHg
Flash Point: 148 °C
PSA: 167.66000
LogP: 1.93060
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Specification

The Polyester(ethylene glycol:isophthalic acid:terephthalic acid) is an organic compound with the formula C22H26O10. The IUPAC name of this chemical is dimethyl benzene-1,3-dicarboxylate; 2,3-dimethylterephthalic acid; ethane-1,2-diol. With the CAS registry number 25135-73-3, it is also named as Ethylene glycol, isophthalic acid, dimethyl ester, terephthalic acid, dimethyl ester polyester.

Physical properties about Polyester(ethylene glycol:isophthalic acid:terephthalic acid) are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 2.45; (3)ACD/LogD (pH 7.4): 2.45; (4)ACD/BCF (pH 5.5): 42.75; (5)ACD/BCF (pH 7.4): 42.75; (6)ACD/KOC (pH 5.5): 511.74; (7)ACD/KOC (pH 7.4): 511.74; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.6 Å2; (11)Flash Point: 148 °C; (12)Enthalpy of Vaporization: 52.4 kJ/mol; (13)Boiling Point: 285 °C at 760 mmHg; (14)Vapour Pressure: 0.00288 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cccc(C(=O)OC)c1.O=C(O)c1ccc(C(=O)O)c(c1C)C.OCCO
(2)InChI: InChI=1/2C10H10O4.C2H6O2/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;1-5-6(2)8(10(13)14)4-3-7(5)9(11)12;3-1-2-4/h3-6H,1-2H3;3-4H,1-2H3,(H,11,12)(H,13,14);3-4H,1-2H2
(3)InChIKey: LNPZBQGEAHVBBS-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/2C10H10O4.C2H6O2/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;1-5-6(2)8(10(13)14)4-3-7(5)9(11)12;3-1-2-4/h3-6H,1-2H3;3-4H,1-2H3,(H,11,12)(H,13,14);3-4H,1-2H2
(5)Std. InChIKey: LNPZBQGEAHVBBS-UHFFFAOYSA-N