[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl- supplier

Name
4'-Propyl-[1,1'-bicyclohexyl]-4-carboxylic acid
EINECS
CAS No. 83860-51-9
Article Data2
CAS DataBase
Density 0.998 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₈O₂
Boiling Point 370.9 °C at 760 mmHg
Molecular Weight 252.397
Flash Point 178.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4'-Propyl-1,1'-bi(cyclohexyl)-4-carboxylic acid;
PSA 0.00000
LogP 0.00000

[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl- Specification

This chemical is called [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, and it can also be named as 4'-Propyl-1,1'-bi(cyclohexyl)-4-carboxylic acid. The molecular formula of this chemical is C₁₆H₂₈O₂. The CAS registry number of this chemical is 83860-51-9.

Other characteristics of the [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl- can be summarised as followings: (1)ACD/LogP: 5.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 4260.24; (6)ACD/BCF (pH 7.4): 73.82; (7)ACD/KOC (pH 5.5): 9251.55; (8)ACD/KOC (pH 7.4): 160.31; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 73.45 cm³; (15)Molar Volume: 252.8 cm³; (16)Polarizability: 29.11×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 0.998 g/cm³; (19)Flash Point: 178.8 °C ; (20)Enthalpy of Vaporization: 67.85 kJ/mol; (21)Boiling Point: 370.9 °C at 760 mmHg; (22)Vapour Pressure: 1.61E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C1CCC(CC1)C2CCC(CC2)CCC
2.InChI: InChI=1/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)
3.InChIKey: JXPGQFKJNKWDKP-UHFFFAOYAL

Product Name

4'-Propyl-[1,1'-bicyclohexyl]-4-carboxylic acid

[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl- Specification

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