- InChI
- InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3
- InChI Key
- CEQGYPPMTKWBIU-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCCCCCCCOC(=O)CC
- Molecular Weight1
- 186.29
- CAS
- 142-60-9
- Other Names
-
- Octyl propanoate
- Octyl propionate
- Propionic acid, octyl ester
- n-Octyl propanoate
- n-Octyl propionate
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6530 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.300 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 2014.51 | kPa | Joback Calculated Property |
| Inp | [1263.00; 1301.68] |
|
|
| Inp | 1280.60 | NIST | |
| Inp | Outlier 1301.68 | NIST | |
| Inp | 1280.00 | NIST | |
| Inp | 1276.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | Outlier 1263.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1284.00 | NIST | |
| I | [1522.00; 1557.00] |
|
|
| I | 1539.00 | NIST | |
| I | Outlier 1522.00 | NIST | |
| I | 1557.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1550.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1539.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1552.00 | NIST | |
| I | 1542.00 | NIST | |
| I | 1530.00 | NIST | |
| I | 1542.00 | NIST | |
| Tboil | [499.60; 501.08] | K |
|
| Tboil | 501.08 ± 0.30 | K | NIST |
| Tboil | 499.60 ± 1.50 | K | NIST |
| Tc | 669.41 | K | Relay (1.0) Calculated Property |
| Tfus | 231.60 ± 0.50 | K | NIST |
| Vc | 0.674 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.24; 496.57] | J/mol×K | [527.37; 698.36] |
|
| Cp,gas | 415.24 | J/mol×K | 527.37 | Joback Calculated Property |
| Cp,gas | 430.19 | J/mol×K | 555.87 | Joback Calculated Property |
| Cp,gas | 444.58 | J/mol×K | 584.37 | Joback Calculated Property |
| Cp,gas | 458.41 | J/mol×K | 612.87 | Joback Calculated Property |
| Cp,gas | 471.67 | J/mol×K | 641.36 | Joback Calculated Property |
| Cp,gas | 484.39 | J/mol×K | 669.86 | Joback Calculated Property |
| Cp,gas | 496.57 | J/mol×K | 698.36 | Joback Calculated Property |
| η | [0.0002056; 0.0032030] | Pa×s | [285.89; 527.37] |
|
| η | 0.0032030 | Pa×s | 285.89 | Joback Calculated Property |
| η | 0.0015281 | Pa×s | 326.14 | Joback Calculated Property |
| η | 0.0008577 | Pa×s | 366.38 | Joback Calculated Property |
| η | 0.0005398 | Pa×s | 406.63 | Joback Calculated Property |
| η | 0.0003692 | Pa×s | 446.88 | Joback Calculated Property |
| η | 0.0002689 | Pa×s | 487.12 | Joback Calculated Property |
| η | 0.0002056 | Pa×s | 527.37 | Joback Calculated Property |
| Pvap | [4.65e-03; 0.30] | kPa | [293.30; 348.40] |
|
| Pvap | 4.65e-03 | kPa | 293.30 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 5.75e-03 | kPa | 295.70 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 7.32e-03 | kPa | 298.40 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 8.83e-03 | kPa | 300.30 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.01 | kPa | 303.30 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.02 | kPa | 308.30 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.03 | kPa | 313.40 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.04 | kPa | 318.50 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.05 | kPa | 323.40 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.08 | kPa | 328.50 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.11 | kPa | 333.30 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.16 | kPa | 338.30 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.18 | kPa | 340.30 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.21 | kPa | 343.00 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.27 | kPa | 346.40 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
| Pvap | 0.30 | kPa | 348.40 | Vapour pressures and enthalpies of vaporization of aliphatic esters |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [377.62; 521.58] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56962e+01 | |||
| Coefficient B | -4.58510e+03 | |||
| Coefficient C | -8.00530e+01 | |||
| Temperature range, min. | 377.62 | |||
| Temperature range, max. | 521.58 | |||
| Pvap | 1.33 | kPa | 377.62 | Calculated Property |
| Pvap | 2.93 | kPa | 393.62 | Calculated Property |
| Pvap | 5.95 | kPa | 409.61 | Calculated Property |
| Pvap | 11.33 | kPa | 425.61 | Calculated Property |
| Pvap | 20.38 | kPa | 441.60 | Calculated Property |
| Pvap | 34.87 | kPa | 457.60 | Calculated Property |
| Pvap | 57.13 | kPa | 473.59 | Calculated Property |
| Pvap | 90.05 | kPa | 489.59 | Calculated Property |
| Pvap | 137.17 | kPa | 505.58 | Calculated Property |
| Pvap | 202.67 | kPa | 521.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, octyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporization of aliphatic esters
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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