- InChI
- InChI=1S/C11H22O3/c1-9(2)7-11(12)14-8-10(3)5-6-13-4/h9-10H,5-8H2,1-4H3
- InChI Key
- JJUFYIUMRUMHLH-UHFFFAOYSA-N
- Formula
- C11H22O3
- SMILES
- COCCC(C)COC(=O)CC(C)C
- Molecular Weight1
- 202.29
- 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° | -302.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.87 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 2.248 | Crippen Calculated Property | |
| McVol | 179.160 | ml/mol | McGowan Calculated Property |
| Pc | 2012.70 | kPa | Joback Calculated Property |
| Inp | [1313.00; 1313.00] |
|
|
| Inp | 1313.00 | NIST | |
| Inp | 1313.00 | NIST | |
| Tboil | 548.91 | K | Joback Calculated Property |
| Tc | 725.84 | K | Joback Calculated Property |
| Tfus | 278.12 | K | Joback Calculated Property |
| Vc | 0.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.83; 526.44] | J/mol×K | [548.91; 725.84] |
|
| Cp,gas | 442.83 | J/mol×K | 548.91 | Joback Calculated Property |
| Cp,gas | 458.24 | J/mol×K | 578.40 | Joback Calculated Property |
| Cp,gas | 473.06 | J/mol×K | 607.89 | Joback Calculated Property |
| Cp,gas | 487.29 | J/mol×K | 637.38 | Joback Calculated Property |
| Cp,gas | 500.93 | J/mol×K | 666.86 | Joback Calculated Property |
| Cp,gas | 513.98 | J/mol×K | 696.35 | Joback Calculated Property |
| Cp,gas | 526.44 | J/mol×K | 725.84 | Joback Calculated Property |
| η | [0.0001465; 0.0043534] | Pa×s | [278.12; 548.91] |
|
| η | 0.0043534 | Pa×s | 278.12 | Joback Calculated Property |
| η | 0.0016670 | Pa×s | 323.25 | Joback Calculated Property |
| η | 0.0008076 | Pa×s | 368.38 | Joback Calculated Property |
| η | 0.0004583 | Pa×s | 413.52 | Joback Calculated Property |
| η | 0.0002908 | Pa×s | 458.65 | Joback Calculated Property |
| η | 0.0002001 | Pa×s | 503.78 | Joback Calculated Property |
| η | 0.0001465 | Pa×s | 548.91 | Joback Calculated Property |
Similar Compounds
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Sources
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