- InChI
- InChI=1S/C12H18O2/c1-6-10(4)8-12(7-9(2)3)14-11(5)13/h6-7,12H,1,4,8H2,2-3,5H3
- InChI Key
- ZTRGTWAVPUGVON-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- C=CC(=C)CC(C=C(C)C)OC(C)=O
- Molecular Weight1
- 194.27
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4602 | Relay (1.0) Calculated Property | |
| ΔfG° | 52.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -353.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.017 | Crippen Calculated Property | |
| McVol | 174.480 | ml/mol | McGowan Calculated Property |
| Pc | 2123.64 | kPa | Joback Calculated Property |
| Inp | [1243.00; 1243.00] |
|
|
| Inp | 1243.00 | NIST | |
| Inp | 1243.00 | NIST | |
| I | 1594.00 | NIST | |
| Tboil | 471.65 | K | Relay (1.0) Calculated Property |
| Tc | 660.87 | K | Relay (1.0) Calculated Property |
| Tfus | 230.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.602 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.18; 485.35] | J/mol×K | [547.09; 739.96] |
|
| Cp,gas | 406.18 | J/mol×K | 547.09 | Joback Calculated Property |
| Cp,gas | 421.19 | J/mol×K | 579.23 | Joback Calculated Property |
| Cp,gas | 435.43 | J/mol×K | 611.38 | Joback Calculated Property |
| Cp,gas | 448.94 | J/mol×K | 643.52 | Joback Calculated Property |
| Cp,gas | 461.74 | J/mol×K | 675.67 | Joback Calculated Property |
| Cp,gas | 473.87 | J/mol×K | 707.81 | Joback Calculated Property |
| Cp,gas | 485.35 | J/mol×K | 739.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ipsdienyl acetate.
Sources
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