- InChI
- InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
- InChI Key
- ULBTUVJTXULMLP-UHFFFAOYSA-N
- Formula
- C22H44O2
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OCCCC
- Molecular Weight1
- 340.58
- CAS
- 123-95-5
- Other Names
-
- ADK STAB LS-8
- Apex 4
- BS
- BUTYL ESTER
- Emerest 2325
- Groco 5810
- Kemester 5510
- Kessco BS
- Kessco BSC
- Kesscoflex BS
- NSC 4820
- Oleo-Coll LP
- Oleoyl sarcosine
- Polycizer 332
- Priolube 1451
- RC Plasticizer B-17
- Radia 7051
- STEARIC ACID
- Starfol BS-100
- Tegester butyl stearate
- Uniflex BYS-tech
- Uniflex bys
- Unimate BYS
- Wickenol 122
- Witcizer 200
- Witcizer 201
- Witconol 2326
- butyl octadecanoate
- butyl stearate
- n-Butyl octadecanoate
- n-Butyl stearate
- stearic acid, butyl ester
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 1.0448 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -13972.00 | kJ/mol | NIST |
| ΔfH°gas | -815.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.591 | Crippen Calculated Property | |
| McVol | 328.280 | ml/mol | McGowan Calculated Property |
| Pc | 904.52 | kPa | Joback Calculated Property |
| Inp | [2361.00; 2388.00] |
|
|
| Inp | 2362.00 | NIST | |
| Inp | Outlier 2388.00 | NIST | |
| Inp | 2361.00 | NIST | |
| Inp | 2374.00 | NIST | |
| Inp | 2374.00 | NIST | |
| Inp | 2369.00 | NIST | |
| Inp | 2362.00 | NIST | |
| Inp | 2362.00 | NIST | |
| Inp | 2362.00 | NIST | |
| Inp | 2361.00 | NIST | |
| Tboil | 606.04 | K | Relay (1.0) Calculated Property |
| Tc | 791.72 | K | Relay (1.0) Calculated Property |
| Tfus | 293.97 | K | Relay (1.0) Calculated Property |
| Ttriple | 299.72 ± 0.02 | K | NIST |
| Vc | 1.296 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1020.89; 1129.90] | J/mol×K | [761.18; 934.44] |
|
| Cp,gas | 1020.89 | J/mol×K | 761.18 | Joback Calculated Property |
| Cp,gas | 1041.55 | J/mol×K | 790.06 | Joback Calculated Property |
| Cp,gas | 1061.18 | J/mol×K | 818.93 | Joback Calculated Property |
| Cp,gas | 1079.80 | J/mol×K | 847.81 | Joback Calculated Property |
| Cp,gas | 1097.44 | J/mol×K | 876.68 | Joback Calculated Property |
| Cp,gas | 1114.13 | J/mol×K | 905.56 | Joback Calculated Property |
| Cp,gas | 1129.90 | J/mol×K | 934.44 | Joback Calculated Property |
| η | [0.0000494; 0.0019055] | Pa×s | [380.03; 761.18] |
|
| η | 0.0019055 | Pa×s | 380.03 | Joback Calculated Property |
| η | 0.0006705 | Pa×s | 443.56 | Joback Calculated Property |
| η | 0.0003065 | Pa×s | 507.08 | Joback Calculated Property |
| η | 0.0001668 | Pa×s | 570.61 | Joback Calculated Property |
| η | 0.0001025 | Pa×s | 634.13 | Joback Calculated Property |
| η | 0.0000689 | Pa×s | 697.65 | Joback Calculated Property |
| η | 0.0000494 | Pa×s | 761.18 | Joback Calculated Property |
| ΔfusH | [2.22; 37.48] | kJ/mol | [288.40; 299.70] |
|
| ΔfusH | 2.22 | kJ/mol | 288.40 | NIST |
| ΔfusH | 37.48 | kJ/mol | 299.70 | NIST |
| ΔfusH | 37.48 | kJ/mol | 299.70 | NIST |
| ΔvapH | 99.90 | kJ/mol | 375.50 | NIST |
| ΔfusS | [7.70; 125.05] | J/mol×K | [288.40; 299.70] |
|
| ΔfusS | 7.70 | J/mol×K | 288.40 | NIST |
| ΔfusS | 125.05 | J/mol×K | 299.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [549.12; 686.18] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.03091e+01 | |||
| Coefficient B | -8.19195e+03 | |||
| Coefficient C | -1.39962e+02 | |||
| Temperature range, min. | 549.12 | |||
| Temperature range, max. | 686.18 | |||
| Pvap | 1.33 | kPa | 549.12 | Calculated Property |
| Pvap | 2.73 | kPa | 564.35 | Calculated Property |
| Pvap | 5.34 | kPa | 579.58 | Calculated Property |
| Pvap | 9.96 | kPa | 594.81 | Calculated Property |
| Pvap | 17.85 | kPa | 610.04 | Calculated Property |
| Pvap | 30.85 | kPa | 625.26 | Calculated Property |
| Pvap | 51.55 | kPa | 640.49 | Calculated Property |
| Pvap | 83.58 | kPa | 655.72 | Calculated Property |
| Pvap | 131.81 | kPa | 670.95 | Calculated Property |
| Pvap | 202.65 | kPa | 686.18 | Calculated Property |
| Pvap | [8.62e-07; 864.93] | kPa | [299.45; 764.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | -3.21911e+01 | |||
| Coefficient B | -9.32682e+03 | |||
| Coefficient C | 8.86661e+00 | |||
| Coefficient D | -1.31917e-05 | |||
| Temperature range, min. | 299.45 | |||
| Temperature range, max. | 764.00 | |||
| Pvap | 8.62e-07 | kPa | 299.45 | Calculated Property |
| Pvap | 2.21e-04 | kPa | 351.07 | Calculated Property |
| Pvap | 0.01 | kPa | 402.68 | Calculated Property |
| Pvap | 0.30 | kPa | 454.30 | Calculated Property |
| Pvap | 3.33 | kPa | 505.92 | Calculated Property |
| Pvap | 21.07 | kPa | 557.53 | Calculated Property |
| Pvap | 86.14 | kPa | 609.15 | Calculated Property |
| Pvap | 246.79 | kPa | 660.77 | Calculated Property |
| Pvap | 524.88 | kPa | 712.38 | Calculated Property |
| Pvap | 864.93 | kPa | 764.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecanoic acid, butyl ester.
Mixtures
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubilities of n-Butyl Esters in Supercritical Carbon Dioxide
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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