- InChI
- InChI=1S/C7H12O4/c1-5(7(10)11)3-2-4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
- InChI Key
- JZUMVFMLJGSMRF-UHFFFAOYSA-N
- Formula
- C7H12O4
- SMILES
- CC(CCCC(=O)O)C(=O)O
- Molecular Weight1
- 160.17
- CAS
- 626-70-0
- ω : Acentric Factor.
- 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).
- 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 | 0.8292 | Relay (1.0) Calculated Property | |
| ΔfG° | -525.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -875.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.962 | Crippen Calculated Property | |
| McVol | 124.370 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Tboil | 518.03 | K | Relay (1.0) Calculated Property |
| Tc | 742.48 | K | Relay (1.0) Calculated Property |
| Tfus | 336.00 ± 4.00 | K | NIST |
| Vc | 0.444 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.86; 367.05] | J/mol×K | [651.22; 826.91] | 
|
| Cp,gas | 324.86 | J/mol×K | 651.22 | Joback Calculated Property |
| Cp,gas | 332.86 | J/mol×K | 680.50 | Joback Calculated Property |
| Cp,gas | 340.46 | J/mol×K | 709.78 | Joback Calculated Property |
| Cp,gas | 347.66 | J/mol×K | 739.07 | Joback Calculated Property |
| Cp,gas | 354.49 | J/mol×K | 768.35 | Joback Calculated Property |
| Cp,gas | 360.95 | J/mol×K | 797.63 | Joback Calculated Property |
| Cp,gas | 367.05 | J/mol×K | 826.91 | Joback Calculated Property |
| η | [0.0000280; 0.0074203] | Pa×s | [375.15; 651.22] |
|
| η | 0.0074203 | Pa×s | 375.15 | Joback Calculated Property |
| η | 0.0017611 | Pa×s | 421.16 | Joback Calculated Property |
| η | 0.0005549 | Pa×s | 467.17 | Joback Calculated Property |
| η | 0.0002150 | Pa×s | 513.19 | Joback Calculated Property |
| η | 0.0000974 | Pa×s | 559.20 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 605.21 | Joback Calculated Property |
| η | 0.0000280 | Pa×s | 651.22 | Joback Calculated Property |
Similar Compounds
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Sources
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