- InChI
- InChI=1S/C22H43ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22(24)20-21(2)23/h21H,3-20H2,1-2H3
- InChI Key
- IDYIKPKMBHKZJF-UHFFFAOYSA-N
- Formula
- C22H43ClO2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CC(C)C
l - Molecular Weight1
- 375.03
- Other Names
-
- Octadecyl 3-chlorobutanoate
- 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).
- Inp : Non-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 | 1.0456 | Relay (1.0) Calculated Property | |
| ΔfG° | -113.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -855.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.809 | Crippen Calculated Property | |
| McVol | 340.520 | ml/mol | McGowan Calculated Property |
| Pc | 911.08 | kPa | Joback Calculated Property |
| Inp | 2535.00 | NIST | |
| Tboil | 611.60 | K | Relay (1.0) Calculated Property |
| Tc | 811.40 | K | Relay (1.0) Calculated Property |
| Tfus | 315.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.310 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1067.19; 1170.82] | J/mol×K | [816.04; 1000.35] | 
|
| Cp,gas | 1067.19 | J/mol×K | 816.04 | Joback Calculated Property |
| Cp,gas | 1087.04 | J/mol×K | 846.76 | Joback Calculated Property |
| Cp,gas | 1105.82 | J/mol×K | 877.48 | Joback Calculated Property |
| Cp,gas | 1123.55 | J/mol×K | 908.19 | Joback Calculated Property |
| Cp,gas | 1140.27 | J/mol×K | 938.91 | Joback Calculated Property |
| Cp,gas | 1156.02 | J/mol×K | 969.63 | Joback Calculated Property |
| Cp,gas | 1170.82 | J/mol×K | 1000.35 | Joback Calculated Property |
| η | [0.0000440; 0.0012419] | Pa×s | [424.78; 816.04] |
|
| η | 0.0012419 | Pa×s | 424.78 | Joback Calculated Property |
| η | 0.0004914 | Pa×s | 489.99 | Joback Calculated Property |
| η | 0.0002417 | Pa×s | 555.20 | Joback Calculated Property |
| η | 0.0001380 | Pa×s | 620.41 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 685.62 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 750.83 | Joback Calculated Property |
| η | 0.0000440 | Pa×s | 816.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, octadecyl ester.
Sources
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