- InChI
- InChI=1S/C8H16O2/c1-4-8(5-2,6-3)10-7-9/h7H,4-6H2,1-3H3
- InChI Key
- FDNBSOFNQQDCAE-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCC(CC)(CC)OC=O
- Molecular Weight1
- 144.21
- 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).
- 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° | -185.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.24 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Inp | [972.00; 972.00] |
|
|
| Inp | 972.00 | NIST | |
| Inp | 972.00 | NIST | |
| Tboil | 450.29 | K | Joback Calculated Property |
| Tc | 631.49 | K | Joback Calculated Property |
| Tfus | 246.57 | K | Joback Calculated Property |
| Vc | 0.507 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.42; 353.26] | J/mol×K | [450.29; 631.49] |
|
| Cp,gas | 283.42 | J/mol×K | 450.29 | Joback Calculated Property |
| Cp,gas | 296.48 | J/mol×K | 480.49 | Joback Calculated Property |
| Cp,gas | 308.95 | J/mol×K | 510.69 | Joback Calculated Property |
| Cp,gas | 320.84 | J/mol×K | 540.89 | Joback Calculated Property |
| Cp,gas | 332.18 | J/mol×K | 571.09 | Joback Calculated Property |
| Cp,gas | 342.98 | J/mol×K | 601.29 | Joback Calculated Property |
| Cp,gas | 353.26 | J/mol×K | 631.49 | Joback Calculated Property |
| η | [0.0002798; 0.0054579] | Pa×s | [246.57; 450.29] |
|
| η | 0.0054579 | Pa×s | 246.57 | Joback Calculated Property |
| η | 0.0024654 | Pa×s | 280.52 | Joback Calculated Property |
| η | 0.0013221 | Pa×s | 314.48 | Joback Calculated Property |
| η | 0.0008006 | Pa×s | 348.43 | Joback Calculated Property |
| η | 0.0005299 | Pa×s | 382.38 | Joback Calculated Property |
| η | 0.0003752 | Pa×s | 416.34 | Joback Calculated Property |
| η | 0.0002798 | Pa×s | 450.29 | Joback Calculated Property |
Similar Compounds
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Sources
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