- 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
- Butyl octadecanoate
- Butyl stearate
- Emerest 2325
- Groco 5810
- Kemester 5510
- Kessco BS
- Kessco BSC
- Kesscoflex BS
- N-BUTYL OCTADECANOATE
- NSC 4820
- Oleo-Coll LP
- Oleoyl sarcosine
- Polycizer 332
- Priolube 1451
- RC Plasticizer B-17
- Radia 7051
- STEARIC ACID
- Starfol BS-100
- Stearic acid, butyl ester
- Tegester butyl stearate
- Uniflex BYS-tech
- Uniflex bys
- Unimate BYS
- Wickenol 122
- Witcizer 200
- Witcizer 201
- Witconol 2326
- n-Butyl stearate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -13972.00 | kJ/mol | NIST |
| ΔfG° | -99.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.72 | kJ/mol | Joback Calculated Property |
| log10WS | -7.89 | Crippen 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 | [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 | 779.05 | K | Joback Calculated Property |
| Tc | 955.69 | K | Joback Calculated Property |
| Tfus | 409.86 | K | Joback Calculated Property |
| Ttriple | 299.72 ± 0.02 | K | NIST |
| Vc | 1.292 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.01; 1139.78] | J/mol×K | [779.05; 955.69] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 1040 1060 1080 1100 1120 1140 800 850 900 950 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 1.20e-3 1.40e-3 500 600 700 | ||||
| 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 |
| 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 Yaw...
|
| 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 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 550 600 650 | ||||
| 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 Vap...
|
| 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 | |||
|
T(K) Vapor pressure (kPa) 0 200 400 600 800 400 600 | ||||
| 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
- 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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.