- InChI
- InChI=1S/C11H16O5/c1-5-8-14-9(12)6-7-10(13)15-16-11(2,3)4/h5-7H,1,8H2,2-4H3/b7-6+
- InChI Key
- ZPVRKKIWIZMFSM-VOTSOKGWSA-N
- Formula
- C11H16O5
- SMILES
- C=CCOC(=O)C=CC(=O)OOC(C)(C)C
- Molecular Weight1
- 228.24
- CAS
- 52345-51-4
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- 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 | 0.6691 | Relay (1.0) Calculated Property | |
| ΔfG° | -360.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -673.20 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 22.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.545 | Crippen Calculated Property | |
| McVol | 178.000 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Tboil | 522.86 | K | Relay (1.0) Calculated Property |
| Tc | 676.12 | K | Relay (1.0) Calculated Property |
| Tfus | 299.30 | 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 | [452.07; 520.64] | J/mol×K | [623.69; 820.57] | 
|
| Cp,gas | 452.07 | J/mol×K | 623.69 | Joback Calculated Property |
| Cp,gas | 465.27 | J/mol×K | 656.50 | Joback Calculated Property |
| Cp,gas | 477.73 | J/mol×K | 689.32 | Joback Calculated Property |
| Cp,gas | 489.49 | J/mol×K | 722.13 | Joback Calculated Property |
| Cp,gas | 500.55 | J/mol×K | 754.94 | Joback Calculated Property |
| Cp,gas | 510.93 | J/mol×K | 787.76 | Joback Calculated Property |
| Cp,gas | 520.64 | J/mol×K | 820.57 | Joback Calculated Property |
| η | [0.0001046; 0.0012633] | Pa×s | [375.86; 623.69] |
|
| η | 0.0012633 | Pa×s | 375.86 | Joback Calculated Property |
| η | 0.0006791 | Pa×s | 417.17 | Joback Calculated Property |
| η | 0.0004082 | Pa×s | 458.47 | Joback Calculated Property |
| η | 0.0002669 | Pa×s | 499.78 | Joback Calculated Property |
| η | 0.0001862 | Pa×s | 541.08 | Joback Calculated Property |
| η | 0.0001368 | Pa×s | 582.38 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 623.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Allyl oo-tert-butylperfumarate.
Sources
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