- InChI
- InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h3-13H2,1-2H3
- InChI Key
- PUCQHFICPFUPKW-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CCCCCCCCCCOC(=O)CCC
- Molecular Weight1
- 228.37
- CAS
- 5454-09-1
- Other Names
-
- Butyric acid, decyl ester
- Decyl butanoate
- Decyl butyrate
- ENT 30734
- n-Decyl butanoate
- 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° | -166.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.91 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 4.470 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1579.71 | kPa | Joback Calculated Property |
| Inp | [1564.00; 1597.00] |
|
|
| Inp | 1590.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1568.00 | NIST | |
| Inp | Outlier 1597.00 | NIST | |
| Inp | 1573.00 | NIST | |
| I | [1807.00; 1830.00] |
|
|
| I | 1822.00 | NIST | |
| I | 1830.00 | NIST | |
| I | 1807.00 | NIST | |
| Tboil | [543.00; 543.00] | K |
|
| Tboil | 543.00 ± 3.00 | K | NIST |
| Tboil | 543.00 ± 6.00 | K | NIST |
| Tc | 764.02 | K | Joback Calculated Property |
| Tfus | 319.70 | K | Joback Calculated Property |
| Vc | 0.844 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.02; 658.29] | J/mol×K | [596.01; 764.02] |
|
| Cp,gas | 567.02 | J/mol×K | 596.01 | Joback Calculated Property |
| Cp,gas | 583.90 | J/mol×K | 624.01 | Joback Calculated Property |
| Cp,gas | 600.10 | J/mol×K | 652.01 | Joback Calculated Property |
| Cp,gas | 615.63 | J/mol×K | 680.02 | Joback Calculated Property |
| Cp,gas | 630.49 | J/mol×K | 708.02 | Joback Calculated Property |
| Cp,gas | 644.71 | J/mol×K | 736.02 | Joback Calculated Property |
| Cp,gas | 658.29 | J/mol×K | 764.02 | Joback Calculated Property |
| η | [0.0001532; 0.0027735] | Pa×s | [319.70; 596.01] |
|
| η | 0.0027735 | Pa×s | 319.70 | Joback Calculated Property |
| η | 0.0012632 | Pa×s | 365.75 | Joback Calculated Property |
| η | 0.0006860 | Pa×s | 411.80 | Joback Calculated Property |
| η | 0.0004212 | Pa×s | 457.86 | Joback Calculated Property |
| η | 0.0002827 | Pa×s | 503.91 | Joback Calculated Property |
| η | 0.0002029 | Pa×s | 549.96 | Joback Calculated Property |
| η | 0.0001532 | Pa×s | 596.01 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [421.12; 571.96] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61569e+01 | |||
| Coefficient B | -5.16764e+03 | |||
| Coefficient C | -9.54820e+01 | |||
| Temperature range, min. | 421.12 | |||
| Temperature range, max. | 571.96 | |||
| Pvap | 1.33 | kPa | 421.12 | Calculated Property |
| Pvap | 2.90 | kPa | 437.88 | Calculated Property |
| Pvap | 5.86 | kPa | 454.64 | Calculated Property |
| Pvap | 11.14 | kPa | 471.40 | Calculated Property |
| Pvap | 20.02 | kPa | 488.16 | Calculated Property |
| Pvap | 34.31 | kPa | 504.92 | Calculated Property |
| Pvap | 56.37 | kPa | 521.68 | Calculated Property |
| Pvap | 89.18 | kPa | 538.44 | Calculated Property |
| Pvap | 136.45 | kPa | 555.20 | Calculated Property |
| Pvap | 202.63 | kPa | 571.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, decyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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