ETHYL HYDROGEN SEBACATE

Catalog No: FT-0625777

CAS No: 693-55-0

Chemical Name: ETHYL HYDROGEN SEBACATE
Molecular Formula: C12H22O4
Molecular Weight: 230.3
InChI Key: DLZCDMPHHUODDO-UHFFFAOYSA-N
InChI: InChI=1S/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	35-38ºC
CAS:	693-55-0
MF:	C12H22O4
Flash_Point:	119ºC
Product_Name:	ethyl hydrogen sebacate
Density:	1.024 g/cm3
FW:	230.30100
Bolling_Point:	336ºC at 760 mmHg

Refractive_Index:	1.455
Flash_Point:	119ºC
LogP:	2.75490
Bolling_Point:	336ºC at 760 mmHg
PSA:	63.60000
Molecular_Structure:	['1 . Molar refractive index 6098 ', '2 . Molar volume （m3/mol）2247 ', '3 . Parachor （902K）5560 ', '4 . Surface tension 374 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 2417']
Computational_Chemistry:	['1 . XlogP 28 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 11 ', '5 . TPSA 636 ', '6 . Heavy Atom Count 16 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 201 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	35-38ºC
MF:	C12H22O4
Exact_Mass:	230.15200
FW:	230.30100
Density:	1.024 g/cm3
More_Info:	['1 . Appearance White Solid 。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）35-38 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Insoluble in Water 。']