- InChI
- InChI=1S/C31H51ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-29(33)31(5-2,6-3)30(34)36-26-27-22-21-23-28(32)25-27/h21-23,25H,4-20,24,26H2,1-3H3
- InChI Key
- NALWDKUHUACNEA-UHFFFAOYSA-N
- Formula
- C31H51ClO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(C
C)C(=O)OCc1cccc(Cl)c1 - Molecular Weight1
- 523.19
- 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° | -164.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -972.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.94 | kJ/mol | Joback Calculated Property |
| log10WS | -10.57 | Crippen Calculated Property | |
| logPoct/wat | 9.604 | Crippen Calculated Property | |
| McVol | 451.010 | ml/mol | McGowan Calculated Property |
| Pc | 691.07 | kPa | Joback Calculated Property |
| Inp | [3532.00; 3532.00] |
|
|
| Inp | 3532.00 | NIST | |
| Inp | 3532.00 | NIST | |
| Tboil | 1127.12 | K | Joback Calculated Property |
| Tc | 1399.57 | K | Joback Calculated Property |
| Tfus | 654.73 | K | Joback Calculated Property |
| Vc | 1.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1585.63; 1672.14] | J/mol×K | [1127.12; 1399.57] |
|
| Cp,gas | 1585.63 | J/mol×K | 1127.12 | Joback Calculated Property |
| Cp,gas | 1604.25 | J/mol×K | 1172.53 | Joback Calculated Property |
| Cp,gas | 1620.95 | J/mol×K | 1217.94 | Joback Calculated Property |
| Cp,gas | 1635.92 | J/mol×K | 1263.34 | Joback Calculated Property |
| Cp,gas | 1649.32 | J/mol×K | 1308.75 | Joback Calculated Property |
| Cp,gas | 1661.34 | J/mol×K | 1354.16 | Joback Calculated Property |
| Cp,gas | 1672.14 | J/mol×K | 1399.57 | Joback Calculated Property |
| η | [0.0000063; 0.0001027] | Pa×s | [654.73; 1127.12] |
|
| η | 0.0001027 | Pa×s | 654.73 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 733.46 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 812.19 | Joback Calculated Property |
| η | 0.0000176 | Pa×s | 890.92 | Joback Calculated Property |
| η | 0.0000118 | Pa×s | 969.66 | Joback Calculated Property |
| η | 0.0000084 | Pa×s | 1048.39 | Joback Calculated Property |
| η | 0.0000063 | Pa×s | 1127.12 | Joback Calculated Property |
Similar Compounds
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Sources
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