- InChI
- InChI=1S/C15H14O/c1-9-10(2)15-13-7-5-4-6-12(13)8-14(15)16-11(9)3/h4-8H,1-3H3
- InChI Key
- RQRZTEYZJZHKQR-UHFFFAOYSA-N
- Formula
- C15H14O
- SMILES
- Cc1oc2cc3ccccc3c-2c(C)c1C
- Molecular Weight1
- 210.27
- CAS
- 10435-68-4
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -7765.90 | kJ/mol | NIST |
| ΔfH°gas | 2.00 | kJ/mol | NIST |
| ΔfH°solid | -138.00 | kJ/mol | NIST |
| ΔsubH° | [139.50; 140.00] | kJ/mol |
|
| ΔsubH° | 139.50 | kJ/mol | NIST |
| ΔsubH° | 140.00 | kJ/mol | NIST |
| log10WS | -10.46 | Crippen Calculated Property | |
| logPoct/wat | 4.463 | Crippen Calculated Property | |
| McVol | 169.700 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 4,5,6-Trimethyl-2,3-benzoxalene.
Sources
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.