- InChI
- InChI=1S/C29H43ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-33-28(31)25-17-14-15-18-26(25)29(32)34-24-19-20-27(30)23(2)22-24/h14-15,19-20,22,25-26H,3-13,16-18,21H2,1-2H3
- InChI Key
- VPETZAJLOSQPPE-UHFFFAOYSA-N
- Formula
- C29H43ClO4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C1CC=CCC1C
(=O)Oc1ccc(Cl)c(C)c1 - Molecular Weight1
- 491.10
- 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° | -146.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -841.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.86 | kJ/mol | Joback Calculated Property |
| log10WS | -9.45 | Crippen Calculated Property | |
| logPoct/wat | 8.381 | Crippen Calculated Property | |
| McVol | 407.670 | ml/mol | McGowan Calculated Property |
| Pc | 846.03 | kPa | Joback Calculated Property |
| Inp | [3528.00; 3528.00] |
|
|
| Inp | 3528.00 | NIST | |
| Inp | 3528.00 | NIST | |
| Tboil | 1103.61 | K | Joback Calculated Property |
| Tc | 1353.75 | K | Joback Calculated Property |
| Tfus | 646.19 | K | Joback Calculated Property |
| Vc | 1.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1419.65; 1474.02] | J/mol×K | [1103.61; 1353.75] |
|
| Cp,gas | 1419.65 | J/mol×K | 1103.61 | Joback Calculated Property |
| Cp,gas | 1433.83 | J/mol×K | 1145.30 | Joback Calculated Property |
| Cp,gas | 1445.86 | J/mol×K | 1186.99 | Joback Calculated Property |
| Cp,gas | 1455.82 | J/mol×K | 1228.68 | Joback Calculated Property |
| Cp,gas | 1463.78 | J/mol×K | 1270.37 | Joback Calculated Property |
| Cp,gas | 1469.82 | J/mol×K | 1312.06 | Joback Calculated Property |
| Cp,gas | 1474.02 | J/mol×K | 1353.75 | Joback Calculated Property |
| η | [0.0000191; 0.0001996] | Pa×s | [646.19; 1103.61] |
|
| η | 0.0001996 | Pa×s | 646.19 | Joback Calculated Property |
| η | 0.0001098 | Pa×s | 722.43 | Joback Calculated Property |
| η | 0.0000677 | Pa×s | 798.66 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 874.90 | Joback Calculated Property |
| η | 0.0000325 | Pa×s | 951.14 | Joback Calculated Property |
| η | 0.0000244 | Pa×s | 1027.37 | Joback Calculated Property |
| η | 0.0000191 | Pa×s | 1103.61 | Joback Calculated Property |
Similar Compounds
Sources
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