- InChI
- InChI=1S/C15H18O2/c1-9-10(2)14(16)17-13-7-6-11(8-12(9)13)15(3,4)5/h6-8H,1-5H3
- InChI Key
- RZUCTRVCMQEVFR-UHFFFAOYSA-N
- Formula
- C15H18O2
- SMILES
- Cc1c(C)c2cc(C(C)(C)C)ccc2oc1=O
- Molecular Weight1
- 230.30
- CAS
- 116373-39-8
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5598 | Relay (1.0) Calculated Property | |
| ΔfG° | -44.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -316.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.707 | Crippen Calculated Property | |
| McVol | 190.730 | ml/mol | McGowan Calculated Property |
| Pc | 1936.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 619.67 | K | Relay (1.0) Calculated Property |
| Tc | 839.25 | K | Relay (1.0) Calculated Property |
| Tfus | 401.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.709 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Acetic acid, [(3,4-dimethyl-2-oxo-2h-1-benzopyran-7-yl)oxy]-, ethyl ester.](data:image/png;base64,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)
Find more compounds similar to 3,4-Dimethyl-6-tert-butylcoumarin.
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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