Cas no 35452-30-3 (1-Pentanesulfonic acid)
1-Pentanesulfonic acid structure
Product Name:1-Pentanesulfonic acid
CAS No:35452-30-3
MF:C5H12O3S
MW:152.211980819702
CID:307104
PubChem ID:89827
Update Time:2025-04-19
1-Pentanesulfonic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanesulfonic acid
- pentane-1-sulfonic acid
- pentylsulfonic acid
- RJQRCOMHVBLQIH-UHFFFAOYSA-N
- LS-13097
- Pentane-1-sulfonicAcid
- 35452-30-3
- pentane sulfonic acid
- SCHEMBL11336
- DTXSID90188967
-
- Inchi： 1S/C5H12O3S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3,(H,6,7,8)
- InChI Key： RJQRCOMHVBLQIH-UHFFFAOYSA-N
- SMILES： S(CCCCC)(=O)(=O)O
Computed Properties
- Exact Mass: 152.05076
- Monoisotopic Mass: 174.03266
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 147
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 65.6
- XLogP3: 0.9
Experimental Properties
- Melting Point: 15.9 °C
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.46
- PSA: 54.37
1-Pentanesulfonic acid Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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