- InChI
- InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)16-15/h15H,2-12H2,1H3
- InChI Key
- LOYQGUVUOVODCG-UHFFFAOYSA-N
- Formula
- C13H26O3
- SMILES
- CCCCCCCCCCCCC(=O)OO
- Molecular Weight1
- 230.34
- CAS
- 40915-96-6
- 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).
- ΔsubH° : Enthalpy of sublimation 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 |
|---|---|---|---|
| ΔfG° | -312.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.30 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 143.00 ± 5.00 | kJ/mol | NIST |
| ΔvapH° | 70.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 4.314 | Crippen Calculated Property | |
| McVol | 207.340 | ml/mol | McGowan Calculated Property |
| Pc | 1845.16 | kPa | Joback Calculated Property |
| Tboil | 665.31 | K | Joback Calculated Property |
| Tc | 832.17 | K | Joback Calculated Property |
| Tfus | 369.25 | K | Joback Calculated Property |
| Vc | 0.806 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.17; 659.59] | J/mol×K | [665.31; 832.17] | 
|
| Cp,gas | 583.17 | J/mol×K | 665.31 | Joback Calculated Property |
| Cp,gas | 597.40 | J/mol×K | 693.12 | Joback Calculated Property |
| Cp,gas | 611.03 | J/mol×K | 720.93 | Joback Calculated Property |
| Cp,gas | 624.05 | J/mol×K | 748.74 | Joback Calculated Property |
| Cp,gas | 636.47 | J/mol×K | 776.55 | Joback Calculated Property |
| Cp,gas | 648.32 | J/mol×K | 804.36 | Joback Calculated Property |
| Cp,gas | 659.59 | J/mol×K | 832.17 | Joback Calculated Property |
| η | [0.0000446; 0.0035060] | Pa×s | [369.25; 665.31] |
|
| η | 0.0035060 | Pa×s | 369.25 | Joback Calculated Property |
| η | 0.0011030 | Pa×s | 418.59 | Joback Calculated Property |
| η | 0.0004429 | Pa×s | 467.94 | Joback Calculated Property |
| η | 0.0002116 | Pa×s | 517.28 | Joback Calculated Property |
| η | 0.0001150 | Pa×s | 566.62 | Joback Calculated Property |
| η | 0.0000689 | Pa×s | 615.97 | Joback Calculated Property |
| η | 0.0000446 | Pa×s | 665.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Peroxytridecanoic acid.
Sources
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