- InChI
- InChI=1S/C18H27ClO2/c1-2-17(16-12-8-7-9-13-16)18(20)21-15-11-6-4-3-5-10-14-19/h7-9,12-13,17H,2-6,10-11,14-15H2,1H3
- InChI Key
- IJRVMEJOHOAYMY-UHFFFAOYSA-N
- Formula
- C18H27ClO2
- SMILES
- CCC(C(=O)OCCCCCCCCCl)c1ccccc1
- Molecular Weight1
- 310.86
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -35.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.09 | kJ/mol | Joback Calculated Property |
| log10WS | -5.44 | Crippen Calculated Property | |
| logPoct/wat | 5.303 | Crippen Calculated Property | |
| McVol | 260.400 | ml/mol | McGowan Calculated Property |
| Pc | 1481.57 | kPa | Joback Calculated Property |
| Inp | [2238.00; 2238.00] |
|
|
| Inp | 2238.00 | NIST | |
| Inp | 2238.00 | NIST | |
| Tboil | 751.20 | K | Joback Calculated Property |
| Tc | 949.94 | K | Joback Calculated Property |
| Tfus | 406.12 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [742.41; 829.08] | J/mol×K | [751.20; 949.94] |
|
| Cp,gas | 742.41 | J/mol×K | 751.20 | Joback Calculated Property |
| Cp,gas | 759.32 | J/mol×K | 784.32 | Joback Calculated Property |
| Cp,gas | 775.20 | J/mol×K | 817.45 | Joback Calculated Property |
| Cp,gas | 790.07 | J/mol×K | 850.57 | Joback Calculated Property |
| Cp,gas | 803.99 | J/mol×K | 883.69 | Joback Calculated Property |
| Cp,gas | 816.98 | J/mol×K | 916.81 | Joback Calculated Property |
| Cp,gas | 829.08 | J/mol×K | 949.94 | Joback Calculated Property |
| η | [0.0000786; 0.0015158] | Pa×s | [406.12; 751.20] |
|
| η | 0.0015158 | Pa×s | 406.12 | Joback Calculated Property |
| η | 0.0006817 | Pa×s | 463.63 | Joback Calculated Property |
| η | 0.0003657 | Pa×s | 521.15 | Joback Calculated Property |
| η | 0.0002221 | Pa×s | 578.66 | Joback Calculated Property |
| η | 0.0001476 | Pa×s | 636.17 | Joback Calculated Property |
| η | 0.0001049 | Pa×s | 693.69 | Joback Calculated Property |
| η | 0.0000786 | Pa×s | 751.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 8-chlorooctyl ester.
Sources
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