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Physical & Chemical properties

Density

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Reference
Endpoint:
density, other
Remarks:
Density
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Estimated data from ACD/Labs
Reference:
Composition 0
Composition 0
Qualifier:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of (2α,4aα,8β)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one and estimated data for density using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: Estimated data from ACD/Labs
Test material information:
Composition 1
Specific details on test material used for the study:
- IUPAC Name: (2α,4aα,8β)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
- Molecular Formula: C15H24O
- Molecular Weight: 220.3536 g/mole
- SMILES:CC1(C)[C@H]2CC[C@]3(C2)[C@@H]1C(=O)CCC3(C)C
- InChI:1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3/t10-,12+,15-/m0/s1
- Physical appearance : Liquid
- Substance type : Organic
Key result
Type:
density
Density:
1 g/cm³
Temp.:
20 °C
Remarks on result:
other: Estimated value, 101.325 kPa.
Conclusions:
Based on prediction done using ACD/I-Lab 2.0, the density of (2α,4aα,8β)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one was estimated to be 1 g/cm3 at 20 Deg C & 101.325 kPa.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0, the density of (2α,4aα,8β)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one was estimated to be 1 g/cm3 at 20 Deg C & 101.325 kPa.

Description of key information

Based on prediction done using ACD/I-Lab 2.0, the density of (2α,4aα,8β)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one was estimated to be 1 g/cm3 at 20 Deg C & 101.325 kPa.

Key value for chemical safety assessment

Additional information

Based on prediction done using ACD/I-Lab 2.0, the density of (2α,4aα,8β)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one was estimated to be 1 g/cm3 at 20 Deg C & 101.325 kPa.