Found 85 results

Search term: MF = 'C_{21}H_{22}O_{3}S'
ChemSpider 2D Image | 4-Isopropyl-3-methylphenyl 6-methyl-2-naphthalenesulfonate | C21H22O3S

4-Isopropyl-3-methylphenyl 6-methyl-2-naphthalenesulfonate

  • Molecular FormulaC21H22O3S
  • Average mass354.463 Da
  • Monoisotopic mass354.128967 Da
  • ChemSpider ID84398439

More details:

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

2-Naphthalenesulfonic acid, 6-methyl-, 3-methyl-4-(1-methylethyl)phenyl ester [ACD/Index Name]
4-Isopropyl-3-methylphenyl 6-methyl-2-naphthalenesulfonate [ACD/IUPAC Name]
4-Isopropyl-3-methylphenyl-6-methyl-2-naphthalinsulfonat [German] [ACD/IUPAC Name]
6-Méthyl-2-naphtalènesulfonate de 4-isopropyl-3-méthylphényle [French] [ACD/IUPAC Name]
2415526-84-8 [RN]
3-methyl-4-(propan-2-yl)phenyl 6-methylnaphthalene-2-sulfonate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 518.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26663.18
ACD/KOC (pH 5.5): 51245.11
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26663.18
ACD/KOC (pH 7.4): 51245.11
Polar Surface Area: 52 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 299.8±3.0 cm3

Click to predict properties on the Chemicalize site


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