2-Butenedioic acid(2Z)-, diheptyl ester (9CI) supplier

Name
diheptyl maleate
EINECS 250-884-9
CAS No. 31983-42-3
Density 0.957 g/cm³
Solubility
Melting Point
Formula C₁₈H₃₂O₄
Boiling Point 389.2 °C at 760 mmHg
Molecular Weight 312.45
Flash Point 181.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butenedioicacid (Z)-, diheptyl ester;Maleic acid, diheptyl ester (6CI,7CI,8CI);Bis(1-heptyl) maleate;Di-n-heptyl maleate;Diheptyl maleate;
PSA 52.60000
LogP 4.56980

2-Butenedioic acid(2Z)-, diheptyl ester (9CI) Specification

The 2-Butenedioic acid(2Z)-, diheptyl ester (9CI), with the CAS registry number 31983-42-3, is also known as Diheptyl maleate. Its EINECS registry number is 250-884-9. This chemical's molecular formula is C₁₈H₃₂O₄ and molecular weight is 312.44428. Its IUPAC name is called diheptyl (Z)-but-2-enedioate.

Physical properties of 2-Butenedioic acid(2Z)-, diheptyl ester (9CI): (1)ACD/LogP: 7.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 122264.08; (6)ACD/BCF (pH 7.4): 122264.08; (7)ACD/KOC (pH 5.5): 152428.73; (8)ACD/KOC (pH 7.4): 152428.73; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 16; (11)Index of Refraction: 1.458; (12)Molar Refractivity: 89.04 cm³; (13)Molar Volume: 326.2 cm³; (14)Surface Tension: 33.5 dyne/cm; (15)Density: 0.957 g/cm³; (16)Flash Point: 181.8 °C; (17)Enthalpy of Vaporization: 63.85 kJ/mol; (18)Boiling Point: 389.2 °C at 760 mmHg; (19)Vapour Pressure: 2.91E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCOC(=O)C=CC(=O)OCCCCCCC
(2)Isomeric SMILES: CCCCCCCOC(=O)/C=C\C(=O)OCCCCCCC
(3)InChI: InChI=1S/C18H32O4/c1-3-5-7-9-11-15-21-17(19)13-14-18(20)22-16-12-10-8-6-4-2/h13-14H,3-12,15-16H2,1-2H3/b14-13-
(4)InChIKey: KUUZQLFCCOGXKQ-YPKPFQOOSA-N

Product Name

diheptyl maleate

2-Butenedioic acid(2Z)-, diheptyl ester (9CI) Specification

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