- InChI
- InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22(23)20-4-2/h3-21H2,1-2H3
- InChI Key
- VTTIDPAZLXIGNF-UHFFFAOYSA-N
- Formula
- C22H44O2
- SMILES
- CCCCCCCCCCCCCCCCCCOC(=O)CCC
- Molecular Weight1
- 340.58
- CAS
- 13373-83-6
- Other Names
-
- Butanoic acid, octadecyl ester
- Octadecyl butanoate
- Octadecyl butyrate
- 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 | 1.0452 | Relay (1.0) Calculated Property | |
| ΔfG° | -99.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -812.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.591 | Crippen Calculated Property | |
| McVol | 328.280 | ml/mol | McGowan Calculated Property |
| Pc | 927.24 | kPa | Joback Calculated Property |
| Inp | [2352.00; 2377.00] |
|
|
| Inp | 2362.00 | NIST | |
| Inp | 2363.00 | NIST | |
| Inp | 2363.00 | NIST | |
| Inp | 2352.00 | NIST | |
| Inp | 2377.00 | NIST | |
| I | [2595.00; 2595.00] |
|
|
| I | 2595.00 | NIST | |
| I | 2595.00 | NIST | |
| Tboil | 602.45 | K | Relay (1.0) Calculated Property |
| Tc | 787.70 | K | Relay (1.0) Calculated Property |
| Tfus | 296.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.296 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.01; 1139.78] | J/mol×K | [779.05; 955.69] |
|
| Cp,gas | 1031.01 | J/mol×K | 779.05 | Joback Calculated Property |
| Cp,gas | 1051.60 | J/mol×K | 808.49 | Joback Calculated Property |
| Cp,gas | 1071.17 | J/mol×K | 837.93 | Joback Calculated Property |
| Cp,gas | 1089.74 | J/mol×K | 867.37 | Joback Calculated Property |
| Cp,gas | 1107.35 | J/mol×K | 896.81 | Joback Calculated Property |
| Cp,gas | 1124.02 | J/mol×K | 926.25 | Joback Calculated Property |
| Cp,gas | 1139.78 | J/mol×K | 955.69 | Joback Calculated Property |
| η | [0.0000557; 0.0013386] | Pa×s | [409.86; 779.05] |
|
| η | 0.0013386 | Pa×s | 409.86 | Joback Calculated Property |
| η | 0.0005575 | Pa×s | 471.39 | Joback Calculated Property |
| η | 0.0002843 | Pa×s | 532.92 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 594.45 | Joback Calculated Property |
| η | 0.0001080 | Pa×s | 655.99 | Joback Calculated Property |
| η | 0.0000754 | Pa×s | 717.52 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 779.05 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [550.12; 670.06] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.24916e+01 | |||
| Coefficient B | -9.10717e+03 | |||
| Coefficient C | -1.39962e+02 | |||
| Temperature range, min. | 550.12 | |||
| Temperature range, max. | 670.06 | |||
| Pvap | 1.33 | kPa | 550.12 | Calculated Property |
| Pvap | 2.68 | kPa | 563.45 | Calculated Property |
| Pvap | 5.17 | kPa | 576.77 | Calculated Property |
| Pvap | 9.58 | kPa | 590.10 | Calculated Property |
| Pvap | 17.14 | kPa | 603.43 | Calculated Property |
| Pvap | 29.69 | kPa | 616.75 | Calculated Property |
| Pvap | 49.90 | kPa | 630.08 | Calculated Property |
| Pvap | 81.61 | kPa | 643.41 | Calculated Property |
| Pvap | 130.12 | kPa | 656.73 | Calculated Property |
| Pvap | 202.65 | kPa | 670.06 | Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, octadecyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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