- InChI
- InChI=1S/C10H14O4/c1-4-6-9(5-2)14-10(12)7-13-8(3)11/h9H,5,7H2,1-3H3
- InChI Key
- SRTYDEDBRGXGAT-UHFFFAOYSA-N
- Formula
- C10H14O4
- SMILES
- CC#CC(CC)OC(=O)COC(C)=O
- Molecular Weight1
- 198.22
- 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).
- Inp : Non-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° | -234.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -472.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.93 | kJ/mol | Joback Calculated Property |
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 0.895 | Crippen Calculated Property | |
| McVol | 158.040 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Inp | 1319.00 | NIST | |
| Tboil | 589.34 | K | Joback Calculated Property |
| Tc | 793.61 | K | Joback Calculated Property |
| Tfus | 437.88 | K | Joback Calculated Property |
| Vc | 0.600 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.07; 444.50] | J/mol×K | [589.34; 793.61] | 
|
| Cp,gas | 377.07 | J/mol×K | 589.34 | Joback Calculated Property |
| Cp,gas | 389.79 | J/mol×K | 623.39 | Joback Calculated Property |
| Cp,gas | 401.92 | J/mol×K | 657.43 | Joback Calculated Property |
| Cp,gas | 413.47 | J/mol×K | 691.48 | Joback Calculated Property |
| Cp,gas | 424.43 | J/mol×K | 725.52 | Joback Calculated Property |
| Cp,gas | 434.77 | J/mol×K | 759.57 | Joback Calculated Property |
| Cp,gas | 444.50 | J/mol×K | 793.61 | Joback Calculated Property |
Similar Compounds
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Sources
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