Statements (51)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
hydrocarbon
alkene |
| gptkbp:appearance |
colorless liquid
|
| gptkbp:aroma |
gasoline-like
|
| gptkbp:autoignitionTemperature |
215 °C
|
| gptkbp:boilingPoint |
98.4 °C
|
| gptkbp:CASNumber |
142-82-5
|
| gptkbp:chemicalFormula |
C7H16
|
| gptkbp:component |
gptkb:gasoline
|
| gptkbp:density |
0.684 g/cm³ (at 20 °C)
|
| gptkbp:discoveredBy |
William John Thomas
|
| gptkbp:discoveredIn |
1877
|
| gptkbp:environmentalHazard |
toxic to aquatic life
|
| gptkbp:flammability |
highly flammable
|
| gptkbp:flashPoint |
-4 °C
|
| gptkbp:foundIn |
gptkb:United_Kingdom
|
| gptkbp:GHSClassification |
Flame, Health hazard, Environment
|
| gptkbp:hasInChIKey |
IMNFDUFMRHMDMM-UHFFFAOYSA-N
InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 |
| gptkbp:hasLogP |
4.66
|
| gptkbp:hasSMILES |
CCCCCCC
|
| https://www.w3.org/2000/01/rdf-schema#label |
n-heptane
|
| gptkbp:isomerOf |
heptane
|
| gptkbp:IUPACName |
heptane
|
| gptkbp:KEGGID |
C01744
|
| gptkbp:LD50OralRat |
>5000 mg/kg
|
| gptkbp:meltingPoint |
-90.6 °C
|
| gptkbp:molecularWeight |
100.205 g/mol
|
| gptkbp:NFPA704 |
Health: 1, Flammability: 3, Instability: 0
|
| gptkbp:PubChem_CID |
8900
8577 43098 CHEMBL14299 |
| gptkbp:refractiveIndex |
1.3876 (at 20 °C)
|
| gptkbp:riskFactor |
H225 (Highly flammable liquid and vapor)
H336 (May cause drowsiness or dizziness) H304 (May be fatal if swallowed and enters airways) H411 (Toxic to aquatic life with long lasting effects) |
| gptkbp:routeOfExposure |
inhalation
ingestion skin contact |
| gptkbp:solubility |
insoluble
|
| gptkbp:stable |
stable under recommended storage conditions
|
| gptkbp:storage |
store in a cool, well-ventilated place
|
| gptkbp:structure |
straight-chain alkane
|
| gptkbp:UNNumber |
1206
|
| gptkbp:uses |
non-polar solvent
reference fuel in octane rating |
| gptkbp:vaporPressure |
47 mmHg (at 20 °C)
|
| gptkbp:bfsParent |
gptkb:Heptane
|
| gptkbp:bfsLayer |
6
|