- InChI
- InChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
- InChI Key
- SIOLDWZBFABPJU-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CC(C)CCCCCCCCCC(=O)O
- Molecular Weight1
- 214.34
- CAS
- 25448-24-2
- Other Names
-
- isotridecanoic acid
- 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).
- Pvap : Vapor pressure (kPa).
- I : 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 | 0.8986 | Relay (1.0) Calculated Property | |
| ΔfG° | -209.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -683.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.238 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| I | 2555.00 | NIST | |
| Tboil | 565.50 | K | Relay (1.0) Calculated Property |
| Tc | 748.58 | K | Relay (1.0) Calculated Property |
| Tfus | 324.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.753 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.48; 633.62] | J/mol×K | [642.45; 810.60] | 
|
| Cp,gas | 555.48 | J/mol×K | 642.45 | Joback Calculated Property |
| Cp,gas | 570.05 | J/mol×K | 670.47 | Joback Calculated Property |
| Cp,gas | 583.97 | J/mol×K | 698.50 | Joback Calculated Property |
| Cp,gas | 597.27 | J/mol×K | 726.52 | Joback Calculated Property |
| Cp,gas | 609.97 | J/mol×K | 754.55 | Joback Calculated Property |
| Cp,gas | 622.08 | J/mol×K | 782.57 | Joback Calculated Property |
| Cp,gas | 633.62 | J/mol×K | 810.60 | Joback Calculated Property |
| η | [0.0000568; 0.0097836] | Pa×s | [332.02; 642.45] |
|
| η | 0.0097836 | Pa×s | 332.02 | Joback Calculated Property |
| η | 0.0023257 | Pa×s | 383.76 | Joback Calculated Property |
| η | 0.0007778 | Pa×s | 435.50 | Joback Calculated Property |
| η | 0.0003282 | Pa×s | 487.24 | Joback Calculated Property |
| η | 0.0001635 | Pa×s | 538.97 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 590.71 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 642.45 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [445.72; 612.67] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56459e+01 | |||
| Coefficient B | -5.27447e+03 | |||
| Coefficient C | -1.02293e+02 | |||
| Temperature range, min. | 445.72 | |||
| Temperature range, max. | 612.67 | |||
| Pvap | 1.33 | kPa | 445.72 | Calculated Property |
| Pvap | 2.93 | kPa | 464.27 | Calculated Property |
| Pvap | 5.96 | kPa | 482.82 | Calculated Property |
| Pvap | 11.35 | kPa | 501.37 | Calculated Property |
| Pvap | 20.42 | kPa | 519.92 | Calculated Property |
| Pvap | 34.93 | kPa | 538.47 | Calculated Property |
| Pvap | 57.21 | kPa | 557.02 | Calculated Property |
| Pvap | 90.14 | kPa | 575.57 | Calculated Property |
| Pvap | 137.23 | kPa | 594.12 | Calculated Property |
| Pvap | 202.65 | kPa | 612.67 | Calculated Property |
Similar Compounds
Find more compounds similar to 11-methyldodecanoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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