- InChI
- InChI=1S/C23H35ClO4/c1-2-3-11-17-27-22(25)20-14-13-15-21(19-20)23(26)28-18-12-9-7-5-4-6-8-10-16-24/h13-15,19H,2-12,16-18H2,1H3
- InChI Key
- YEIJYEGEQIWEDQ-UHFFFAOYSA-N
- Formula
- C23H35ClO4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OCCCCCC
CCCCCl)c1 - Molecular Weight1
- 410.98
- 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 | 1.1648 | Relay (1.0) Calculated Property | |
| ΔfG° | -234.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -936.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.550 | Crippen Calculated Property | |
| McVol | 338.290 | ml/mol | McGowan Calculated Property |
| Pc | 1071.46 | kPa | Joback Calculated Property |
| Inp | [3081.00; 3081.00] |
|
|
| Inp | 3081.00 | NIST | |
| Inp | 3081.00 | NIST | |
| Tboil | 670.79 | K | Relay (1.0) Calculated Property |
| Tc | 885.91 | K | Relay (1.0) Calculated Property |
| Tfus | 301.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.264 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1084.97; 1159.55] | J/mol×K | [947.31; 1160.48] |
|
| Cp,gas | 1084.97 | J/mol×K | 947.31 | Joback Calculated Property |
| Cp,gas | 1100.59 | J/mol×K | 982.84 | Joback Calculated Property |
| Cp,gas | 1114.89 | J/mol×K | 1018.37 | Joback Calculated Property |
| Cp,gas | 1127.90 | J/mol×K | 1053.89 | Joback Calculated Property |
| Cp,gas | 1139.65 | J/mol×K | 1089.42 | Joback Calculated Property |
| Cp,gas | 1150.19 | J/mol×K | 1124.95 | Joback Calculated Property |
| Cp,gas | 1159.55 | J/mol×K | 1160.48 | Joback Calculated Property |
| η | [0.0000303; 0.0003455] | Pa×s | [562.15; 947.31] |
|
| η | 0.0003455 | Pa×s | 562.15 | Joback Calculated Property |
| η | 0.0001870 | Pa×s | 626.34 | Joback Calculated Property |
| η | 0.0001135 | Pa×s | 690.54 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 754.73 | Joback Calculated Property |
| η | 0.0000529 | Pa×s | 818.92 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 883.12 | Joback Calculated Property |
| η | 0.0000303 | Pa×s | 947.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 10-chlorodecyl pentyl ester.
Sources
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