Cas no 313997-65-8 (hentriacontane-12,14-diol)
hentriacontane-12,14-diol structure
Product Name:hentriacontane-12,14-diol
CAS No:313997-65-8
MF:C31H64O2
MW:468.838670730591
CID:1447128
Update Time:2024-08-25
hentriacontane-12,14-diol Chemical and Physical Properties
Names and Identifiers
-
- hentriacontane-12,14-diol
- 12,14-hentriacontanediol
- LogP
- 12,14-hentriacontanediol; LogP
-
- Inchi： 1S/C31H64O2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-31(33)29-30(32)27-25-23-21-19-12-10-8-6-4-2/h30-33H,3-29H2,1-2H3
- InChI Key： FEAMJRCXBOMUFS-UHFFFAOYSA-N
- SMILES： CCCCCCCCCCCC(O)CC(O)CCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 468.49092
Experimental Properties
- Density: 0.874±0.06 g/cm3(Predicted)
- Boiling Point: 573.0±23.0 °C(Predicted)
- PSA: 40.46
- pka: 14.96±0.20(Predicted)
hentriacontane-12,14-diol Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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