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85392-03-6

Basic Information
CAS No.: 85392-03-6
Name: 5-Decenoic acid
Article Data: 10
Molecular Structure:
Molecular Structure of 85392-03-6 (5-Decenoic acid)
Formula: C10H18O2
Molecular Weight: 170.252
Synonyms: Dec-5-enoic acid;FEMA No. 3742;UNII-597CC40DG6;
EINECS: 286-861-5
Density: 0.936 g/cm3
Melting Point: 18.83°C (estimate)
Boiling Point: 277.3 °C at 760 mmHg
Flash Point: 174.5 °C
PSA: 37.30000
LogP: 2.98770
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Specification

The 5-Decenoic acid with CAS registry number of 85392-03-6 is also known as UNII-597CC40DG6. The systematic name is Dec-5-enoic acid. Its EINECS registry number is 286-861-5. In addition, the formula is C10H18O2 and the molecular weight is 170.25.

Physical properties about 5-Decenoic acid are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 0.87; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 7; (8)Index of Refraction: 1.462; (9)Molar Refractivity: 49.99 cm3; (10)Molar Volume: 181.8 cm3; (11)Surface Tension: 33.9 dyne/cm; (12)Density: 0.936 g/cm3; (13)Flash Point: 174.5 °C; (14)Enthalpy of Vaporization: 56.77 kJ/mol; (15)Boiling Point: 277.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00124 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES:OC(=O)CCCC=CCCCC
2. InChI:InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,2-4,7-9H2,1H3,(H,11,12)
3. InChIKey:UJUXUEKQHBXUEM-UHFFFAOYAI
4. Std. InChI:InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,2-4,7-9H2,1H3,(H,11,12)
5. Std. InChIKey:UJUXUEKQHBXUEM-UHFFFAOYSA-N