- InChI
- InChI=1S/C13H26O2/c1-3-5-7-8-9-10-11-13(14)15-12-6-4-2/h3-12H2,1-2H3
- InChI Key
- DOLFPCDDMUMIMR-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CCCCCCCCC(=O)OCCCC
- Molecular Weight1
- 214.34
- CAS
- 50623-57-9
- Other Names
-
- Butyl nonanoate
- Butyl pelargonate
- butyl nonan-1-oate
- n-Butyl nonanoate
- n-Pelargonic acid, butyl ester
- 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 | [1467.00; 1486.00] |
|
|
| Inp | 1470.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1467.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1470.00 | NIST | |
| I | [1700.00; 1725.00] |
|
|
| I | 1714.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1725.00 | NIST | |
| Tboil | 573.13 | K | Joback Calculated Property |
| Tc | 741.92 | K | Joback Calculated Property |
| Tfus | 235.20 ± 0.70 | K | NIST |
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [403.40; 557.27] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55660e+01 | |||
| Coefficient B | -4.79858e+03 | |||
| Coefficient C | -8.93240e+01 | |||
| Temperature range, min. | 403.40 | |||
| Temperature range, max. | 557.27 | |||
| Pvap | 1.33 | kPa | 403.40 | Calculated Property |
| Pvap | 2.93 | kPa | 420.50 | Calculated Property |
| Pvap | 5.98 | kPa | 437.59 | Calculated Property |
| Pvap | 11.39 | kPa | 454.69 | Calculated Property |
| Pvap | 20.48 | kPa | 471.79 | Calculated Property |
| Pvap | 35.03 | kPa | 488.88 | Calculated Property |
| Pvap | 57.35 | kPa | 505.98 | Calculated Property |
| Pvap | 90.29 | kPa | 523.08 | Calculated Property |
| Pvap | 137.36 | kPa | 540.17 | Calculated Property |
| Pvap | 202.64 | kPa | 557.27 | Calculated Property |
| Pvap | [8.44e-07; 1687.03] | kPa | [235.15; 652.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.26763e+02 | |||
| Coefficient B | -1.29847e+04 | |||
| Coefficient C | -1.57230e+01 | |||
| Coefficient D | 5.80566e-06 | |||
| Temperature range, min. | 235.15 | |||
| Temperature range, max. | 652.00 | |||
| Pvap | 8.44e-07 | kPa | 235.15 | Calculated Property |
| Pvap | 5.07e-04 | kPa | 281.47 | Calculated Property |
| Pvap | 0.04 | kPa | 327.78 | Calculated Property |
| Pvap | 0.75 | kPa | 374.10 | Calculated Property |
| Pvap | 6.81 | kPa | 420.42 | Calculated Property |
| Pvap | 35.81 | kPa | 466.73 | Calculated Property |
| Pvap | 129.75 | kPa | 513.05 | Calculated Property |
| Pvap | 361.62 | kPa | 559.37 | Calculated Property |
| Pvap | 835.65 | kPa | 605.68 | Calculated Property |
| Pvap | 1687.03 | kPa | 652.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonanoic acid, butyl ester.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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