- 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° | -287.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -683.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.17 | 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 | 1781.84 | kPa | Joback Calculated Property |
| I | [2555.00; 2555.00] |
|
|
| I | 2555.00 | NIST | |
| I | 2555.00 | NIST | |
| Tboil | 565.50 | K | Relay (1.0) Calculated Property |
| Tc | 756.68 | K | Relay (1.0) Calculated Property |
| Tfus | 318.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.57; 701.33] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.01100e+00 | |||
| Coefficient B | 1.29554e+00 | |||
| Coefficient C | -7.59200e-04 | |||
| Coefficient D | 1.71000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 294.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 364.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 427.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 483.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 532.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 576.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 614.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 647.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 676.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 701.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017940; 0.0002282] | Pa×s | [381.87; 575.37] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.24544e+01 | |||
| Coefficient B | 2.34128e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 381.87 | |||
| Temperature range, max. | 575.37 | |||
| η | 0.0017940 | Pa×s | 381.87 | Calculated Property |
| η | 0.0012939 | Pa×s | 403.37 | Calculated Property |
| η | 0.0009646 | Pa×s | 424.87 | Calculated Property |
| η | 0.0007397 | Pa×s | 446.37 | Calculated Property |
| η | 0.0005813 | Pa×s | 467.87 | Calculated Property |
| η | 0.0004666 | Pa×s | 489.37 | Calculated Property |
| η | 0.0003815 | Pa×s | 510.87 | Calculated Property |
| η | 0.0003170 | Pa×s | 532.37 | Calculated Property |
| η | 0.0002673 | Pa×s | 553.87 | Calculated Property |
| η | 0.0002282 | Pa×s | 575.37 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [445.72; 612.67] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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