- InChI
- InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
- InChI Key
- ZDPHROOEEOARMN-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCCCCCCCCCC(=O)O
- Molecular Weight1
- 186.30
- CAS
- 112-37-8
- Other Names
-
- 1-Decanecarboxylic acid
- Undecylic acid
- hendecanoic acid
- n-Undecanoic acid
- n-Undecoic acid
- n-Undecylic acid
- undedecanoic acid
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.8645 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6736.50 ± 0.90 | kJ/mol | NIST |
| ΔfG° | -302.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -631.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.39 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [121.00; 121.30] | kJ/mol |
|
| ΔsubH° | 121.00 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 121.30 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 93.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.55 | Aq. Solubility Prediction | |
| logPoct/wat | 3.602 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 2004.04 ± 90.00 | kPa | NIST |
| Inp | [248.00; 1493.00] |
|
|
| Inp | 1488.00 | NIST | |
| Inp | 1466.80 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | Outlier 249.52 | NIST | |
| Inp | Outlier 248.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | Outlier 249.52 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1488.00 | NIST | |
| I | [2359.00; 2421.00] |
|
|
| I | 2398.00 | NIST | |
| I | 2421.00 | NIST | |
| I | 2419.00 | NIST | |
| I | 2407.00 | NIST | |
| I | 2405.00 | NIST | |
| I | 2417.00 | NIST | |
| I | 2400.00 | NIST | |
| I | 2369.00 | NIST | |
| I | 2379.00 | NIST | |
| I | 2365.00 | NIST | |
| I | 2371.00 | NIST | |
| I | Outlier 2359.00 | NIST | |
| I | 2394.00 | NIST | |
| I | 2394.00 | NIST | |
| I | 2417.00 | NIST | |
| I | 2419.00 | NIST | |
| I | 2373.00 | NIST | |
| I | 2400.00 | NIST | |
| I | 2407.00 | NIST | |
| I | 2413.00 | NIST | |
| I | 2400.00 | NIST | |
| I | 2400.00 | NIST | |
| I | 2400.00 | NIST | |
| I | 2401.00 | NIST | |
| I | 2400.00 | NIST | |
| I | 2365.00 | NIST | |
| I | 2398.00 | NIST | |
| I | 2417.00 | NIST | |
| Tboil | [438.15; 553.15] | K |
|
| Tboil | 438.15 | K | NIST |
| Tboil | 553.15 ± 5.00 | K | NIST |
| Tc | 731.26 ± 3.00 | K | NIST |
| Tfus | [301.20; 302.00] | K |
|
| Tfus | 301.58 | K | Aq. Solubility Prediction |
| Tfus | 301.65 ± 0.40 | K | NIST |
| Tfus | 301.90 ± 0.05 | K | NIST |
| Tfus | 302.00 ± 1.50 | K | NIST |
| Tfus | 301.40 ± 0.20 | K | NIST |
| Tfus | 301.20 ± 3.00 | K | NIST |
| Tfus | 301.40 ± 0.20 | K | NIST |
| Ttriple | [301.63; 301.63] | K |
|
| Ttriple | 301.63 | K | KDB |
| Ttriple | 301.63 ± 0.02 | K | NIST |
| Ttriple | 301.63 ± 0.02 | K | NIST |
| Vc | 0.675 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [415.10; 768.80] | J/mol×K | [293.00; 298.15] |
|
| Cp,solid | 415.10 | J/mol×K | 293.00 | NIST |
| Cp,solid | 768.80 | J/mol×K | 298.15 | NIST |
| ΔfusH | [8.13; 25.98] | kJ/mol | [290.00; 301.60] |
|
| ΔfusH | 8.13 | kJ/mol | 290.00 | NIST |
| ΔfusH | 25.98 | kJ/mol | 301.60 | NIST |
| ΔfusH | 25.98 | kJ/mol | 301.60 | NIST |
| ΔvapH | [81.30; 97.90] | kJ/mol | [305.50; 475.00] |
|
| ΔvapH | 97.90 ± 6.30 | kJ/mol | 305.50 | NIST |
| ΔvapH | 90.70 ± 2.00 | kJ/mol | 321.00 | NIST |
| ΔvapH | 81.30 | kJ/mol | 475.00 | NIST |
| ΔfusS | [28.03; 86.15] | J/mol×K | [290.00; 301.60] |
|
| ΔfusS | 28.03 | J/mol×K | 290.00 | NIST |
| ΔfusS | 86.15 | J/mol×K | 301.60 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [437.20; 501.20] | K | [2.00; 21.30] |
|
| Tboilr | 437.20 | K | 2.00 | NIST |
| Tboilr | 501.20 | K | 21.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.46; 597.61] | 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 | -2.51100e+00 | |||
| Coefficient B | 1.09962e+00 | |||
| Coefficient C | -6.47200e-04 | |||
| Coefficient D | 1.47700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 252.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 365.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 412.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 454.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 491.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 523.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 551.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 576.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 597.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0064134; 0.0003596] | Pa×s | [301.59; 511.88] |
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 | -1.20627e+01 | |||
| Coefficient B | 2.11514e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 301.59 | |||
| Temperature range, max. | 511.88 | |||
| η | 0.0064134 | Pa×s | 301.59 | Calculated Property |
| η | 0.0038733 | Pa×s | 324.96 | Calculated Property |
| η | 0.0025029 | Pa×s | 348.32 | Calculated Property |
| η | 0.0017087 | Pa×s | 371.69 | Calculated Property |
| η | 0.0012204 | Pa×s | 395.05 | Calculated Property |
| η | 0.0009050 | Pa×s | 418.42 | Calculated Property |
| η | 0.0006927 | Pa×s | 441.78 | Calculated Property |
| η | 0.0005446 | Pa×s | 465.15 | Calculated Property |
| η | 0.0004382 | Pa×s | 488.52 | Calculated Property |
| η | 0.0003596 | Pa×s | 511.88 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [427.72; 587.87] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57164e+01 | |||
| Coefficient B | -5.11747e+03 | |||
| Coefficient C | -9.60380e+01 | |||
| Temperature range, min. | 427.72 | |||
| Temperature range, max. | 587.87 | |||
| Pvap | 1.33 | kPa | 427.72 | Calculated Property |
| Pvap | 2.92 | kPa | 445.51 | Calculated Property |
| Pvap | 5.95 | kPa | 463.31 | Calculated Property |
| Pvap | 11.32 | kPa | 481.10 | Calculated Property |
| Pvap | 20.36 | kPa | 498.90 | Calculated Property |
| Pvap | 34.85 | kPa | 516.69 | Calculated Property |
| Pvap | 57.09 | kPa | 534.49 | Calculated Property |
| Pvap | 90.01 | kPa | 552.28 | Calculated Property |
| Pvap | 137.13 | kPa | 570.08 | Calculated Property |
| Pvap | 202.66 | kPa | 587.87 | Calculated Property |
| Pvap | [0.13; 102.29] | kPa | [393.15; 557.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.52629e+02 | |||
| Coefficient B | -2.14898e+04 | |||
| Coefficient C | -3.38776e+01 | |||
| Coefficient D | 1.53739e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 393.15 | |||
| Temperature range, max. | 557.15 | |||
| Pvap | 0.13 | kPa | 393.15 | Calculated Property |
| Pvap | 0.39 | kPa | 411.37 | Calculated Property |
| Pvap | 1.05 | kPa | 429.59 | Calculated Property |
| Pvap | 2.51 | kPa | 447.82 | Calculated Property |
| Pvap | 5.49 | kPa | 466.04 | Calculated Property |
| Pvap | 11.08 | kPa | 484.26 | Calculated Property |
| Pvap | 20.90 | kPa | 502.48 | Calculated Property |
| Pvap | 37.19 | kPa | 520.71 | Calculated Property |
| Pvap | 63.00 | kPa | 538.93 | Calculated Property |
| Pvap | 102.29 | kPa | 557.15 | Calculated Property |
| Pvap | [0.13; 100.32] | kPa | [374.60; 563.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.62802e+01 | |||
| Coefficient B | -6.08065e+03 | |||
| Coefficient C | -4.20340e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 374.60 | |||
| Temperature range, max. | 563.00 | |||
| Pvap | 0.13 | kPa | 374.60 | Calculated Property |
| Pvap | 0.40 | kPa | 395.53 | Calculated Property |
| Pvap | 1.04 | kPa | 416.47 | Calculated Property |
| Pvap | 2.46 | kPa | 437.40 | Calculated Property |
| Pvap | 5.33 | kPa | 458.33 | Calculated Property |
| Pvap | 10.73 | kPa | 479.27 | Calculated Property |
| Pvap | 20.26 | kPa | 500.20 | Calculated Property |
| Pvap | 36.18 | kPa | 521.13 | Calculated Property |
| Pvap | 61.54 | kPa | 542.07 | Calculated Property |
| Pvap | 100.32 | kPa | 563.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecanoic acid.
Mixtures
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Phase Equilibria of Long-Chain Carboxylic Acids in Supercritical Propane
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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