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41014-93-1

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Basic Information
CAS No.: 41014-93-1
Name: (S)-2-hydroxyvaleric acid
Article Data: 19
Molecular Structure:
Molecular Structure of 41014-93-1 ((S)-2-hydroxyvaleric acid)
Formula: C5H10O3
Molecular Weight: 118.133
Synonyms: Pentanoicacid, 2-hydroxy-, (S)-;(S)-2-Hydroxyvaleric acid;(S)-a-Hydroxyvaleric acid;L-2-Hydroxypentanoic acid;L-2-Hydroxyvaleric acid;S-2-Hydroxypentanoic acid;
EINECS: 255-175-8
Density: 1.14 g/cm3
Melting Point: 52-55 °C(Solv: carbon tetrachloride (56-23-5))
Boiling Point: 248 °C at 760 mmHg
Flash Point: 118 °C
PSA: 57.53000
LogP: 0.23200
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Specification

The CAS register number of (S)-2-Hydroxyvaleric acid is 41014-93-1. It also can be called as Pentanoic acid,2-hydroxy-, (2S)- and the IUPAC name about this chemical is (2S)-2-hydroxypentanoic acid. The molecular formula about this chemical is C5H10O3 and the molecular weight is 118.1311.

Physical properties about (S)-2-Hydroxyvaleric acid are: (1)ACD/LogP: 0.36; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 35.53Å2; (10)Index of Refraction: 1.458; (11)Molar Refractivity: 28.27 cm3; (12)Molar Volume: 103.5 cm3; (13)Polarizability: 11.2x10-24cm3; (14)Surface Tension: 44.1 dyne/cm; (15)Enthalpy of Vaporization: 56.37 kJ/mol; (16)Boiling Point: 248 °C at 760 mmHg; (17)Vapour Pressure: 0.00405 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](O)CCC
(2)InChI: InChI=1/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
(3)InChIKey: JRHWHSJDIILJAT-BYPYZUCNBN
(4)Std. InChI: InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
(5)Std. InChIKey: JRHWHSJDIILJAT-BYPYZUCNSA-N