- InChI
- InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-10H,2-3H2,1H3/b11-8-
- InChI Key
- XTVWTNWDUGUSNF-FLIBITNWSA-N
- Formula
- C12H14O2
- SMILES
- CCCC=C1OC(=O)C2C=CC=CC12
- Molecular Weight1
- 190.24
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization 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).
- Pc : Critical Pressure (kPa).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 32.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -242.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 2.586 | Crippen Calculated Property | |
| McVol | 152.760 | ml/mol | McGowan Calculated Property |
| Pc | 2746.90 | kPa | Joback Calculated Property |
| I | 2676.00 | NIST | |
| Tboil | 599.98 | K | Joback Calculated Property |
| Tc | 831.06 | K | Joback Calculated Property |
| Tfus | 356.99 | K | Joback Calculated Property |
| Vc | 0.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.28; 482.68] | J/mol×K | [599.98; 831.06] | 
|
| Cp,gas | 396.28 | J/mol×K | 599.98 | Joback Calculated Property |
| Cp,gas | 413.28 | J/mol×K | 638.49 | Joback Calculated Property |
| Cp,gas | 429.18 | J/mol×K | 677.01 | Joback Calculated Property |
| Cp,gas | 444.03 | J/mol×K | 715.52 | Joback Calculated Property |
| Cp,gas | 457.86 | J/mol×K | 754.04 | Joback Calculated Property |
| Cp,gas | 470.73 | J/mol×K | 792.55 | Joback Calculated Property |
| Cp,gas | 482.68 | J/mol×K | 831.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-butylidene dihydrophthalide.
Sources
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