- InChI
- InChI=1S/C29H47ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-28(31)26-21-18-19-22-27(26)29(32)34-24-25(2)30/h18-19,21-22,25H,3-17,20,23-24H2,1-2H3
- InChI Key
- OHSXFUARBDKWCO-UHFFFAOYSA-N
- Formula
- C29H47ClO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cccc
c1C(=O)OCC(C)Cl - Molecular Weight1
- 495.13
- 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 | 1.3321 | Relay (1.0) Calculated Property | |
| ΔfG° | -186.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1059.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.889 | Crippen Calculated Property | |
| McVol | 422.830 | ml/mol | McGowan Calculated Property |
| Pc | 761.84 | kPa | Joback Calculated Property |
| Inp | [3477.00; 3477.00] |
|
|
| Inp | 3477.00 | NIST | |
| Inp | 3477.00 | NIST | |
| Tboil | 707.47 | K | Relay (1.0) Calculated Property |
| Tc | 918.89 | K | Relay (1.0) Calculated Property |
| Tfus | 309.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.585 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1458.17; 1533.47] | J/mol×K | [1084.15; 1338.81] |
|
| Cp,gas | 1458.17 | J/mol×K | 1084.15 | Joback Calculated Property |
| Cp,gas | 1475.39 | J/mol×K | 1126.59 | Joback Calculated Property |
| Cp,gas | 1490.60 | J/mol×K | 1169.04 | Joback Calculated Property |
| Cp,gas | 1503.92 | J/mol×K | 1211.48 | Joback Calculated Property |
| Cp,gas | 1515.44 | J/mol×K | 1253.93 | Joback Calculated Property |
| Cp,gas | 1525.25 | J/mol×K | 1296.37 | Joback Calculated Property |
| Cp,gas | 1533.47 | J/mol×K | 1338.81 | Joback Calculated Property |
| η | [0.0000108; 0.0001761] | Pa×s | [614.77; 1084.15] |
|
| η | 0.0001761 | Pa×s | 614.77 | Joback Calculated Property |
| η | 0.0000850 | Pa×s | 693.00 | Joback Calculated Property |
| η | 0.0000475 | Pa×s | 771.23 | Joback Calculated Property |
| η | 0.0000296 | Pa×s | 849.46 | Joback Calculated Property |
| η | 0.0000200 | Pa×s | 927.69 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 1005.92 | Joback Calculated Property |
| η | 0.0000108 | Pa×s | 1084.15 | Joback Calculated Property |
Similar Compounds
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Sources
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