- InChI
- InChI=1S/C25H35ClO4/c1-3-4-5-6-7-8-9-12-17-29-24(27)21-13-10-11-14-22(21)25(28)30-20-15-16-23(26)19(2)18-20/h10-11,15-16,18,21-22H,3-9,12-14,17H2,1-2H3
- InChI Key
- IOHLKWVNAHDGLC-UHFFFAOYSA-N
- Formula
- C25H35ClO4
- SMILES
-
CCCCCCCCCCOC(=O)C1CC=CCC1C(=O)
Oc1ccc(Cl)c(C)c1 - Molecular Weight1
- 435.00
- 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° | -180.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.95 | kJ/mol | Joback Calculated Property |
| log10WS | -7.77 | Crippen Calculated Property | |
| logPoct/wat | 6.820 | Crippen Calculated Property | |
| McVol | 351.310 | ml/mol | McGowan Calculated Property |
| Pc | 1072.17 | kPa | Joback Calculated Property |
| Inp | [3115.00; 3115.00] |
|
|
| Inp | 3115.00 | NIST | |
| Inp | 3115.00 | NIST | |
| Tboil | 1012.09 | K | Joback Calculated Property |
| Tc | 1241.03 | K | Joback Calculated Property |
| Tfus | 601.11 | K | Joback Calculated Property |
| Vc | 1.343 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1173.19; 1234.58] | J/mol×K | [1012.09; 1241.03] |
|
| Cp,gas | 1173.19 | J/mol×K | 1012.09 | Joback Calculated Property |
| Cp,gas | 1187.66 | J/mol×K | 1050.25 | Joback Calculated Property |
| Cp,gas | 1200.37 | J/mol×K | 1088.40 | Joback Calculated Property |
| Cp,gas | 1211.38 | J/mol×K | 1126.56 | Joback Calculated Property |
| Cp,gas | 1220.72 | J/mol×K | 1164.72 | Joback Calculated Property |
| Cp,gas | 1228.44 | J/mol×K | 1202.87 | Joback Calculated Property |
| Cp,gas | 1234.58 | J/mol×K | 1241.03 | Joback Calculated Property |
| η | [0.0000348; 0.0003203] | Pa×s | [601.11; 1012.09] |
|
| η | 0.0003203 | Pa×s | 601.11 | Joback Calculated Property |
| η | 0.0001831 | Pa×s | 669.61 | Joback Calculated Property |
| η | 0.0001162 | Pa×s | 738.10 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 806.60 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 875.10 | Joback Calculated Property |
| η | 0.0000441 | Pa×s | 943.59 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 1012.09 | Joback Calculated Property |
Similar Compounds
Sources
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