- InChI
- InChI=1S/C15H24O4/c16-14(18-12-6-1-2-7-12)10-5-11-15(17)19-13-8-3-4-9-13/h12-13H,1-11H2
- InChI Key
- XAPGDAKLXVRJDP-UHFFFAOYSA-N
- Formula
- C15H24O4
- SMILES
- O=C(CCCC(=O)OC1CCCC1)OC1CCCC1
- Molecular Weight1
- 268.35
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7325 | Relay (1.0) Calculated Property | |
| ΔfG° | -319.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -915.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.128 | Crippen Calculated Property | |
| McVol | 215.370 | ml/mol | McGowan Calculated Property |
| Pc | 2054.89 | kPa | Joback Calculated Property |
| Inp | [1968.00; 1968.00] |
|
|
| Inp | 1968.00 | NIST | |
| Inp | 1968.00 | NIST | |
| Tboil | 601.68 | K | Relay (1.0) Calculated Property |
| Tc | 817.92 | K | Relay (1.0) Calculated Property |
| Tfus | 306.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.831 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [660.24; 755.86] | J/mol×K | [725.74; 940.14] |
|
| Cp,gas | 660.24 | J/mol×K | 725.74 | Joback Calculated Property |
| Cp,gas | 679.37 | J/mol×K | 761.47 | Joback Calculated Property |
| Cp,gas | 697.18 | J/mol×K | 797.21 | Joback Calculated Property |
| Cp,gas | 713.70 | J/mol×K | 832.94 | Joback Calculated Property |
| Cp,gas | 728.96 | J/mol×K | 868.67 | Joback Calculated Property |
| Cp,gas | 743.01 | J/mol×K | 904.41 | Joback Calculated Property |
| Cp,gas | 755.86 | J/mol×K | 940.14 | Joback Calculated Property |
| η | [0.0002210; 0.0020452] | Pa×s | [424.93; 725.74] |
|
| η | 0.0020452 | Pa×s | 424.93 | Joback Calculated Property |
| η | 0.0011606 | Pa×s | 475.06 | Joback Calculated Property |
| η | 0.0007338 | Pa×s | 525.20 | Joback Calculated Property |
| η | 0.0005026 | Pa×s | 575.34 | Joback Calculated Property |
| η | 0.0003658 | Pa×s | 625.47 | Joback Calculated Property |
| η | 0.0002790 | Pa×s | 675.61 | Joback Calculated Property |
| η | 0.0002210 | Pa×s | 725.74 | Joback Calculated Property |
Similar Compounds
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Sources
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