- InChI
- InChI=1S/C15H22O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,9-12H,4-5,7-8H2,1-3H3/t11?,12-,15+/m0/s1
- InChI Key
- OYMZYJHDWGJMHB-WQKBPTQTSA-N
- Formula
- C15H22O
- SMILES
- CC(C=O)C1=CC2(C)C(=CCCC2C)CC1
- Molecular Weight1
- 218.33
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3511 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| I | 2453.00 | NIST | |
| Tboil | 545.93 | K | Relay (1.0) Calculated Property |
| Tc | 777.47 | K | Relay (1.0) Calculated Property |
| Tfus | 345.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.645 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.24; 632.14] | J/mol×K | [629.90; 856.00] | 
|
| Cp,gas | 527.24 | J/mol×K | 629.90 | Joback Calculated Property |
| Cp,gas | 547.12 | J/mol×K | 667.58 | Joback Calculated Property |
| Cp,gas | 565.84 | J/mol×K | 705.27 | Joback Calculated Property |
| Cp,gas | 583.54 | J/mol×K | 742.95 | Joback Calculated Property |
| Cp,gas | 600.38 | J/mol×K | 780.63 | Joback Calculated Property |
| Cp,gas | 616.52 | J/mol×K | 818.32 | Joback Calculated Property |
| Cp,gas | 632.14 | J/mol×K | 856.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isovalencenal.
Sources
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