- InChI
- InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
- InChI Key
- FRPZMMHWLSIFAZ-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- C=CCCCCCCCCC(=O)O
- Molecular Weight1
- 184.28
- CAS
- 112-38-9
- Other Names
-
- 10-Hendecenoic acid
- 10-Henedecenoic acid
- 10-Undecenoic acid
- 10-Undecylenic acid
- Declid
- Desenex
- Desenex, solution
- Kyselina undecylenova
- NSC 2013
- Renselin
- Sevinon
- Undec-10-enoic acid
- Undecen-10-acid-1
- Undecenoic acid
- Undecyl-10-enic acid
- Undecylenenic acid
- n-Undecylenic acid
- undecylic 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).
- 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.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.8253 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.40 | Aq. Solubility Prediction | |
| logPoct/wat | 3.378 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | [1421.00; 1484.30] |
|
|
| Inp | 1421.00 | NIST | |
| Inp | 1484.30 | NIST | |
| Inp | 1484.30 | NIST | |
| Ip | [2351.00; 2358.00] |
|
|
| Ip | 2358.00 | NIST | |
| Ip | 2351.00 | NIST | |
| Tboil | 548.20 | K | NIST |
| Tc | 746.19 | K | Relay (1.0) Calculated Property |
| Tfus | [297.40; 496.00] | K |
|
| Tfus | 297.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 297.40 | K | Aq. Solubility Prediction |
| Tfus | 298.00 ± 0.50 | K | NIST |
| Tfus | 496.00 ± 2.00 | K | NIST |
| Tfus | 298.05 ± 1.00 | K | NIST |
| Vc | 0.630 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 70.60 | kJ/mol | 467.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [410.00; 410.20] | K | [0.30; 0.30] |
|
| Tboilr | 410.20 | K | 0.30 | NIST |
| Tboilr | 410.00 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.65; 569.10] | 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 | -5.50200e+00 | |||
| Coefficient B | 1.07960e+00 | |||
| Coefficient C | -6.70100e-04 | |||
| Coefficient D | 1.65100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 242.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 299.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 350.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 395.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 434.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 469.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 499.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 525.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 548.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 569.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028507; 0.0002852] | Pa×s | [337.37; 543.17] |
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 | -1.19365e+01 | |||
| Coefficient B | 2.04998e+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. | 337.37 | |||
| Temperature range, max. | 543.17 | |||
| η | 0.0028507 | Pa×s | 337.37 | Calculated Property |
| η | 0.0019384 | Pa×s | 360.24 | Calculated Property |
| η | 0.0013801 | Pa×s | 383.10 | Calculated Property |
| η | 0.0010210 | Pa×s | 405.97 | Calculated Property |
| η | 0.0007800 | Pa×s | 428.84 | Calculated Property |
| η | 0.0006123 | Pa×s | 451.70 | Calculated Property |
| η | 0.0004921 | Pa×s | 474.57 | Calculated Property |
| η | 0.0004034 | Pa×s | 497.44 | Calculated Property |
| η | 0.0003366 | Pa×s | 520.30 | Calculated Property |
| η | 0.0002852 | Pa×s | 543.17 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [420.52; 620.55] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.35239e+01 | |||
| Coefficient B | -4.32806e+03 | |||
| Coefficient C | -9.35360e+01 | |||
| Temperature range, min. | 420.52 | |||
| Temperature range, max. | 620.55 | |||
| Pvap | 1.33 | kPa | 420.52 | Calculated Property |
| Pvap | 3.10 | kPa | 442.75 | Calculated Property |
| Pvap | 6.50 | kPa | 464.97 | Calculated Property |
| Pvap | 12.55 | kPa | 487.20 | Calculated Property |
| Pvap | 22.58 | kPa | 509.42 | Calculated Property |
| Pvap | 38.28 | kPa | 531.65 | Calculated Property |
| Pvap | 61.68 | kPa | 553.87 | Calculated Property |
| Pvap | 95.11 | kPa | 576.10 | Calculated Property |
| Pvap | 141.16 | kPa | 598.32 | Calculated Property |
| Pvap | 202.65 | kPa | 620.55 | Calculated Property |
| Pvap | [0.14; 98.73] | kPa | [387.00; 548.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.93691e+01 | |||
| Coefficient B | -7.71030e+03 | |||
| Coefficient C | -2.62120e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 387.00 | |||
| Temperature range, max. | 548.00 | |||
| Pvap | 0.14 | kPa | 387.00 | Calculated Property |
| Pvap | 0.37 | kPa | 404.89 | Calculated Property |
| Pvap | 0.93 | kPa | 422.78 | Calculated Property |
| Pvap | 2.15 | kPa | 440.67 | Calculated Property |
| Pvap | 4.64 | kPa | 458.56 | Calculated Property |
| Pvap | 9.43 | kPa | 476.44 | Calculated Property |
| Pvap | 18.14 | kPa | 494.33 | Calculated Property |
| Pvap | 33.27 | kPa | 512.22 | Calculated Property |
| Pvap | 58.43 | kPa | 530.11 | Calculated Property |
| Pvap | 98.73 | kPa | 548.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecylenic acid.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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