ChemSpider 2D Image | (1r,4r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-carboxylic acid | C18H32O2

(1r,4r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-carboxylic acid

  • Molecular FormulaC18H32O2
  • Average mass280.445 Da
  • Monoisotopic mass280.240234 Da
  • ChemSpider ID18538409
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1r,4r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-carbonsäure [German] [ACD/IUPAC Name]
(1r,4r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-carboxylic acid [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-pentyl- [ACD/Index Name]
Acide (1r,4r)-4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylique [French] [ACD/IUPAC Name]
(1r,4r)-4'-pentyl-[1,1'-bi(cyclohexane)]-4-carboxylic acid
(TRANS,TRANS)-4'-PENTYL-[1,1'-BICYCLOHEXYL]-4-CARBOXYLIC ACID
161671-34-7 [RN]
65355-33-1 [RN]
'65355-33-1
BR-50757
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-26473]
    • Safety:

      20/21/22 Novochemy [NC-26473]
      20/21/36/37/39 Novochemy [NC-26473]
      GHS07; GHS09 Novochemy [NC-26473]
      H332; H403 Novochemy [NC-26473]
      IRRITANT Matrix Scientific 090447
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-26473]
      Warning Novochemy [NC-26473]
      Xn Novochemy [NC-26473]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 400.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.4±6.0 kJ/mol
Flash Point: 193.0±14.5 °C
Index of Refraction: 1.490
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 9111.42
ACD/KOC (pH 5.5): 15055.27
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 150.99
ACD/KOC (pH 7.4): 249.49
Polar Surface Area: 37 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 285.9±3.0 cm3

Click to predict properties on the Chemicalize site






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