Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Dimethyl 1,4-cubanedicarboxylate

Related Products

Hot Products

Name

Dimethyl 1,4-cubanedicarboxylate

EINECS N/A
CAS No. 29412-62-2 Density 1.684 g/cm3
PSA 52.60000 LogP 0.07040
Solubility N/A Melting Point 163-165 °C(lit.)
Formula C12H12O4 Boiling Point 270 °C at 760 mmHg
Molecular Weight 220.225 Flash Point 131.3 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 29412-62-2 (DIMETHYL 1,4-CUBANEDICARBOXYLATE) Hazard Symbols N/A
Synonyms

Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylicacid, dimethyl ester (7CI,8CI,9CI);1,4-Bis(methoxycarbonyl)cubane;Dimethyl1,4-cubanedicarboxylate;NSC 124104;

Article Data 17

Dimethyl 1,4-cubanedicarboxylate Specification

The Dimethyl 1,4-cubanedicarboxylate, with the CAS registry number 29412-62-2, is also called Cubane-1,4-dicarboylic acid dimethyl ester. The molecular formula of the chemical is C12H12O4. While dealing with this chemical, you should be cautious not to breathe dust and avoid contact with skin and eyes.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 1.11; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 37.62; (8)ACD/KOC (pH 7.4): 37.62; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 50.8 cm3; (15)Molar Volume: 130.7 cm3; (16)Polarizability: 20.14×10-24cm3; (17)Surface Tension: 82.8 dyne/cm; (18)Density: 1.684 g/cm3; (19)Flash Point: 131.3 °C; (20)Enthalpy of Vaporization: 50.81 kJ/mol; (21)Boiling Point: 270 °C at 760 mmHg; (22)Vapour Pressure: 0.00702 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)C24C1C5C3(C(=O)OC)C1C2C3C45
(2)InChI: InChI=1/C12H12O4/c1-15-9(13)11-3-6-4(11)8-5(11)7(3)12(6,8)10(14)16-2/h3-8H,1-2H3
(3)InChIKey: OXBMFCGRQJNAOY-UHFFFAOYAD

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 29412-62-2