- 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.
- I : 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° | -136.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.01 | 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 | 2318.07 | kPa | Joback Calculated Property |
| Inp | [1421.00; 1484.30] |
|
|
| Inp | 1421.00 | NIST | |
| Inp | 1484.30 | NIST | |
| Inp | 1484.30 | NIST | |
| I | [2351.00; 2358.00] |
|
|
| I | 2358.00 | NIST | |
| I | 2351.00 | NIST | |
| Tboil | 548.20 | K | NIST |
| Tc | 738.14 | K | Relay (1.0) Calculated Property |
| Tfus | [297.40; 496.00] | K |
|
| 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 | 0.621 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.08; 498.50] | J/mol×K | [593.81; 762.49] |
|
| Cp,gas | 431.08 | J/mol×K | 593.81 | Joback Calculated Property |
| Cp,gas | 443.64 | J/mol×K | 621.92 | Joback Calculated Property |
| Cp,gas | 455.66 | J/mol×K | 650.04 | Joback Calculated Property |
| Cp,gas | 467.13 | J/mol×K | 678.15 | Joback Calculated Property |
| Cp,gas | 478.08 | J/mol×K | 706.26 | Joback Calculated Property |
| Cp,gas | 488.53 | J/mol×K | 734.37 | Joback Calculated Property |
| Cp,gas | 498.50 | J/mol×K | 762.49 | Joback Calculated Property |
| η | [0.0000916; 0.0090521] | Pa×s | [322.72; 593.81] |
|
| η | 0.0090521 | Pa×s | 322.72 | Joback Calculated Property |
| η | 0.0026312 | Pa×s | 367.90 | Joback Calculated Property |
| η | 0.0010022 | Pa×s | 413.08 | Joback Calculated Property |
| η | 0.0004617 | Pa×s | 458.26 | Joback Calculated Property |
| η | 0.0002445 | Pa×s | 503.45 | Joback Calculated Property |
| η | 0.0001437 | Pa×s | 548.63 | Joback Calculated Property |
| η | 0.0000916 | Pa×s | 593.81 | Joback Calculated Property |
| 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 |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [420.52; 620.55] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 |
Similar Compounds
Find more compounds similar to Undecylenic acid.
Sources
- 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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