N,N-Dimethylaniline C8H11N structure – Flashcards
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental LogP:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Appearance:
- Stability:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
- Retention Index (Linear):
Molecular Formula | C8H11N |
Average mass | 121.180 Da |
Density | 1.0±0.1 g/cm3 |
Boiling Point | 193.5±0.0 °C at 760 mmHg |
Flash Point | 62.8±0.0 °C |
Molar Refractivity | 40.6±0.3 cm3 |
Polarizability | 16.1±0.5 10-24cm3 |
Surface Tension | 34.7±3.0 dyne/cm |
Molar Volume | 127.4±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 1.0±0.1 g/cm3 |
Boiling Point: | 193.5±0.0 °C at 760 mmHg |
Vapour Pressure: | 0.5±0.3 mmHg at 25°C |
Enthalpy of Vaporization: | 43.0±3.0 kJ/mol |
Flash Point: | 62.8±0.0 °C |
Index of Refraction: | 1.550 |
Molar Refractivity: | 40.6±0.3 cm3 |
#H bond acceptors: | 1 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 1 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 2.33 |
ACD/LogD (pH 5.5): | 2.25 |
ACD/BCF (pH 5.5): | 27.76 |
ACD/KOC (pH 5.5): | 341.64 |
ACD/LogD (pH 7.4): | 2.39 |
ACD/BCF (pH 7.4): | 38.57 |
ACD/KOC (pH 7.4): | 474.68 |
Polar Surface Area: | 3 Å2 |
Polarizability: | 16.1±0.5 10-24cm3 |
Surface Tension: | 34.7±3.0 dyne/cm |
Molar Volume: | 127.4±3.0 cm3 |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.17
Log Kow (Exper. database match) = 2.31
Exper. Ref: Hansch,C et al. (1995)Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 169.39 (Adapted Stein & Brown method)
Melting Pt (deg C): -24.55 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.5 (Mean VP of Antoine & Grain methods)
MP (exp database): 2.5 deg C
BP (exp database): 193.45 deg C
VP (exp database): 7.00E-01 mm Hg at 25 deg CWater Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1058
log Kow used: 2.31 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1450 mg/L (25 deg C)
Exper. Ref: HUYSKENS,P ET AL. (1975)Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5568.4 mg/L
Wat Sol (Exper. database match) = 1450.00
Exper. Ref: HUYSKENS,P ET AL. (1975)ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral OrganicsHenrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 8.57E-005 atm-m3/mole
Group Method: Incomplete
Exper Database: 5.68E-05 atm-m3/mole