![Ethaneperoxoic acid, 1-cyano-1-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]pentyl ester](/cid/99-776-2/Ethaneperoxoic-acid-1-cyano-1-2-2-phenyl-1-3-dioxolan-2-yl-ethyl-pentyl-ester.png "Ethaneperoxoic acid, 1-cyano-1-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]pentyl ester")
- InChI
- InChI=1S/C19H25NO5/c1-3-4-10-18(15-20,25-24-16(2)21)11-12-19(22-13-14-23-19)17-8-6-5-7-9-17/h5-9H,3-4,10-14H2,1-2H3
- InChI Key
- XBNHWTBTLQIXHU-UHFFFAOYSA-N
- Formula
- C19H25NO5
- SMILES
-
CCCCC(C#N)(CCC1(c2ccccc2)OCCO1
)OOC(C)=O - Molecular Weight1
- 347.41
- CAS
- 58422-92-7
- 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).
- 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 | 0.8304 | Relay (1.0) Calculated Property | |
| ΔfG° | -122.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.614 | Crippen Calculated Property | |
| McVol | 270.380 | ml/mol | McGowan Calculated Property |
| Pc | 1624.60 | kPa | Joback Calculated Property |
| Tboil | 654.13 | K | Relay (1.0) Calculated Property |
| Tc | 874.57 | K | Relay (1.0) Calculated Property |
| Tfus | 335.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.018 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [883.19; 984.58] | J/mol×K | [927.78; 1160.93] | 
|
| Cp,gas | 883.19 | J/mol×K | 927.78 | Joback Calculated Property |
| Cp,gas | 900.26 | J/mol×K | 966.64 | Joback Calculated Property |
| Cp,gas | 917.02 | J/mol×K | 1005.50 | Joback Calculated Property |
| Cp,gas | 933.66 | J/mol×K | 1044.35 | Joback Calculated Property |
| Cp,gas | 950.35 | J/mol×K | 1083.21 | Joback Calculated Property |
| Cp,gas | 967.26 | J/mol×K | 1122.07 | Joback Calculated Property |
| Cp,gas | 984.58 | J/mol×K | 1160.93 | Joback Calculated Property |
Similar Compounds
Sources
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