- InChI
- InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-12H2,1-2H3
- InChI Key
- CKQGCFFDQIFZFA-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CCCCCCCCCCCOC(C)=O
- Molecular Weight1
- 214.34
- CAS
- 1731-81-3
- Other Names
-
- Acetic acid undecyl ester
- Undecyl acetate
- Undecyl alcohol, acetate
- acetic acid, undecyl ester
- n-Undecyl acetate
- undecanyl acetate
- undecyl ethanoate
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -175.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 4.080 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1707.53 | kPa | Joback Calculated Property |
| Inp | [1483.00; 1519.00] |
|
|
| Inp | 1519.00 | NIST | |
| Inp | 1507.60 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1487.00 | NIST | |
| I | [1775.00; 1802.00] |
|
|
| I | 1802.00 | NIST | |
| I | 1775.00 | NIST | |
| Tboil | 573.13 | K | Joback Calculated Property |
| Tc | 741.92 | K | Joback Calculated Property |
| Tfus | 308.43 | K | Joback Calculated Property |
| Vc | 0.787 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.80; 603.14] | J/mol×K | [573.13; 741.92] |
|
| Cp,gas | 514.80 | J/mol×K | 573.13 | Joback Calculated Property |
| Cp,gas | 531.11 | J/mol×K | 601.26 | Joback Calculated Property |
| Cp,gas | 546.77 | J/mol×K | 629.39 | Joback Calculated Property |
| Cp,gas | 561.79 | J/mol×K | 657.52 | Joback Calculated Property |
| Cp,gas | 576.19 | J/mol×K | 685.66 | Joback Calculated Property |
| Cp,gas | 589.97 | J/mol×K | 713.79 | Joback Calculated Property |
| Cp,gas | 603.14 | J/mol×K | 741.92 | Joback Calculated Property |
| η | [0.0001702; 0.0029408] | Pa×s | [308.43; 573.13] |
|
| η | 0.0029408 | Pa×s | 308.43 | Joback Calculated Property |
| η | 0.0013589 | Pa×s | 352.55 | Joback Calculated Property |
| η | 0.0007456 | Pa×s | 396.66 | Joback Calculated Property |
| η | 0.0004613 | Pa×s | 440.78 | Joback Calculated Property |
| η | 0.0003115 | Pa×s | 484.90 | Joback Calculated Property |
| η | 0.0002245 | Pa×s | 529.01 | Joback Calculated Property |
| η | 0.0001702 | Pa×s | 573.13 | Joback Calculated Property |
| Pvap | [2.40e-04; 0.01] | kPa | [288.90; 329.40] |
|
| Pvap | 2.40e-04 | kPa | 288.90 | Vapour ... |
| Pvap | 3.70e-04 | kPa | 292.90 | Vapour ... |
| Pvap | 4.90e-04 | kPa | 296.00 | Vapour ... |
| Pvap | 7.10e-04 | kPa | 299.00 | Vapour ... |
| Pvap | 9.50e-04 | kPa | 302.10 | Vapour ... |
| Pvap | 1.23e-03 | kPa | 305.20 | Vapour ... |
| Pvap | 1.67e-03 | kPa | 308.20 | Vapour ... |
| Pvap | 2.26e-03 | kPa | 311.20 | Vapour ... |
| Pvap | 2.98e-03 | kPa | 314.30 | Vapour ... |
| Pvap | 3.76e-03 | kPa | 317.30 | Vapour ... |
| Pvap | 4.99e-03 | kPa | 320.30 | Vapour ... |
| Pvap | 6.32e-03 | kPa | 323.30 | Vapour ... |
| Pvap | 8.29e-03 | kPa | 326.30 | Vapour ... |
| Pvap | 0.01 | kPa | 329.40 | Vapour ... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [419.32; 552.05] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.76319e+01 | |||
| Coefficient B | -5.64569e+03 | |||
| Coefficient C | -9.38140e+01 | |||
| Temperature range, min. | 419.32 | |||
| Temperature range, max. | 552.05 | |||
| Pvap | 1.33 | kPa | 419.32 | Calculated Property |
| Pvap | 2.83 | kPa | 434.07 | Calculated Property |
| Pvap | 5.63 | kPa | 448.82 | Calculated Property |
| Pvap | 10.62 | kPa | 463.56 | Calculated Property |
| Pvap | 19.08 | kPa | 478.31 | Calculated Property |
| Pvap | 32.82 | kPa | 493.06 | Calculated Property |
| Pvap | 54.31 | kPa | 507.81 | Calculated Property |
| Pvap | 86.82 | kPa | 522.55 | Calculated Property |
| Pvap | 134.52 | kPa | 537.30 | Calculated Property |
| Pvap | 202.65 | kPa | 552.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Undecanol, acetate.
Sources
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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