- InChI
- InChI=1S/C9H14O4/c1-6(10)12-8-4-3-5-9(8)13-7(2)11/h8-9H,3-5H2,1-2H3/t8-,9-/m1/s1
- InChI Key
- BXAYTJKZGSJCRS-RKDXNWHRSA-N
- Formula
- C9H14O4
- SMILES
- CC(=O)OC1CCCC1OC(C)=O
- Molecular Weight1
- 186.21
- CAS
- 26620-22-4
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -4661.00 | kJ/mol | NIST |
| ΔfG° | -414.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.89 | kJ/mol | Joback Calculated Property |
| log10WS | -1.43 | Crippen Calculated Property | |
| logPoct/wat | 1.034 | Crippen Calculated Property | |
| McVol | 141.690 | ml/mol | McGowan Calculated Property |
| Pc | 2944.08 | kPa | Joback Calculated Property |
| Tboil | 568.51 | K | Joback Calculated Property |
| Tc | 776.09 | K | Joback Calculated Property |
| Tfus | 342.17 | K | Joback Calculated Property |
| Vc | 0.527 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.51; 435.24] | J/mol×K | [568.51; 776.09] | 
|
| Cp,gas | 356.51 | J/mol×K | 568.51 | Joback Calculated Property |
| Cp,gas | 371.53 | J/mol×K | 603.11 | Joback Calculated Property |
| Cp,gas | 385.81 | J/mol×K | 637.70 | Joback Calculated Property |
| Cp,gas | 399.32 | J/mol×K | 672.30 | Joback Calculated Property |
| Cp,gas | 412.07 | J/mol×K | 706.90 | Joback Calculated Property |
| Cp,gas | 424.04 | J/mol×K | 741.49 | Joback Calculated Property |
| Cp,gas | 435.24 | J/mol×K | 776.09 | Joback Calculated Property |
| η | [0.0003232; 0.0019796] | Pa×s | [342.17; 568.51] |
|
| η | 0.0019796 | Pa×s | 342.17 | Joback Calculated Property |
| η | 0.0012597 | Pa×s | 379.89 | Joback Calculated Property |
| η | 0.0008698 | Pa×s | 417.62 | Joback Calculated Property |
| η | 0.0006386 | Pa×s | 455.34 | Joback Calculated Property |
| η | 0.0004915 | Pa×s | 493.06 | Joback Calculated Property |
| η | 0.0003927 | Pa×s | 530.79 | Joback Calculated Property |
| η | 0.0003232 | Pa×s | 568.51 | Joback Calculated Property |
Similar Compounds
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Sources
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