Diethyl 1,1-cyclohexanedicarboxylate

Catalog No: FT-0682705

CAS No: 1139-13-5

Chemical Name: Diethyl 1,1-cyclohexanedicarboxylate
Molecular Formula: C12H20O4
Molecular Weight: 228.28
InChI Key: MLHUKQNAQSRVKI-UHFFFAOYSA-N
InChI: InChI=1S/C12H20O4/c1-3-15-10(13)12(11(14)16-4-2)8-6-5-7-9-12/h3-9H2,1-2H3

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:	N/A
CAS:	1139-13-5
MF:	C12H20O4
Flash_Point:	120.5ºC
Product_Name:	Diethyl 1,1-Cyclohexanedicarboxylate
Density:	1.071 g/cm3
FW:	228.28500
Bolling_Point:	266.6ºC at 760 mmHg ，137ºC 16mm

Refractive_Index:	1.463
Vapor_Pressure:	0.00857mmHg at 25°C
Flash_Point:	120.5ºC
LogP:	2.06310
Bolling_Point:	266.6ºC at 760 mmHg ，137ºC 16mm
FW:	228.28500
PSA:	52.60000
Computational_Chemistry:	['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :234 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF:	C12H20O4
Exact_Mass:	228.13600
Molecular_Structure:	['1. Molar refractive index 5874 ', '2. Molar volume 2131 ', '3. Parachor （902K）5284 ', '4. Surface tension 377 ', '5. Dielectric constant N/A ', '6. Polarizability 2328 ', '7. Single isotope mass 228136159 Da ', '8. Nominal mass 228 Da ', '9. Average mass 2282848 Da']
Density:	1.071 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）104 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）137 ', '6 . Boiling point（ºC，20mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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 Unknow']