- InChI
- InChI=1S/C13H24O4/c1-3-4-5-6-7-8-9-10-16-13(15)11-17-12(2)14/h3-11H2,1-2H3
- InChI Key
- XTGNORUZGLCPJZ-UHFFFAOYSA-N
- Formula
- C13H24O4
- SMILES
- CCCCCCCCCOC(=O)COC(C)=O
- Molecular Weight1
- 244.33
- 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 | 0.7947 | Relay (1.0) Calculated Property | |
| ΔfG° | -409.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.843 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1774.35 | kPa | Joback Calculated Property |
| Inp | 1631.00 | NIST | |
| Tboil | 555.35 | K | Relay (1.0) Calculated Property |
| Tc | 716.66 | K | Relay (1.0) Calculated Property |
| Tfus | 272.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.811 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.37; 649.00] | J/mol×K | [649.42; 825.90] | 
|
| Cp,gas | 568.37 | J/mol×K | 649.42 | Joback Calculated Property |
| Cp,gas | 583.50 | J/mol×K | 678.83 | Joback Calculated Property |
| Cp,gas | 597.94 | J/mol×K | 708.25 | Joback Calculated Property |
| Cp,gas | 611.72 | J/mol×K | 737.66 | Joback Calculated Property |
| Cp,gas | 624.81 | J/mol×K | 767.07 | Joback Calculated Property |
| Cp,gas | 637.24 | J/mol×K | 796.48 | Joback Calculated Property |
| Cp,gas | 649.00 | J/mol×K | 825.90 | Joback Calculated Property |
| η | [0.0001354; 0.0016009] | Pa×s | [380.59; 649.42] |
|
| η | 0.0016009 | Pa×s | 380.59 | Joback Calculated Property |
| η | 0.0008539 | Pa×s | 425.40 | Joback Calculated Property |
| η | 0.0005134 | Pa×s | 470.20 | Joback Calculated Property |
| η | 0.0003373 | Pa×s | 515.00 | Joback Calculated Property |
| η | 0.0002370 | Pa×s | 559.81 | Joback Calculated Property |
| η | 0.0001754 | Pa×s | 604.62 | Joback Calculated Property |
| η | 0.0001354 | Pa×s | 649.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoxyacetic acid, nonyl ester.
Sources
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