- InChI
- InChI=1S/C21H31ClO4/c22-16-8-3-1-2-4-9-17-25-20(23)13-10-14-21(24)26-18-15-19-11-6-5-7-12-19/h5-7,11-12H,1-4,8-10,13-18H2
- InChI Key
- LZNQPHLGZBEKCM-UHFFFAOYSA-N
- Formula
- C21H31ClO4
- SMILES
-
O=C(CCCC(=O)OCCc1ccccc1)OCCCCC
CCCCl - Molecular Weight1
- 382.92
- 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° | -241.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -745.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.31 | kJ/mol | Joback Calculated Property |
| log10WS | -5.59 | Crippen Calculated Property | |
| logPoct/wat | 5.065 | Crippen Calculated Property | |
| McVol | 310.110 | ml/mol | McGowan Calculated Property |
| Pc | 1232.88 | kPa | Joback Calculated Property |
| Inp | [2890.00; 2890.00] |
|
|
| Inp | 2890.00 | NIST | |
| Inp | 2890.00 | NIST | |
| Tboil | 896.57 | K | Joback Calculated Property |
| Tc | 1102.74 | K | Joback Calculated Property |
| Tfus | 527.09 | K | Joback Calculated Property |
| Vc | 1.200 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [965.13; 1039.59] | J/mol×K | [896.57; 1102.74] |
|
| Cp,gas | 965.13 | J/mol×K | 896.57 | Joback Calculated Property |
| Cp,gas | 980.40 | J/mol×K | 930.93 | Joback Calculated Property |
| Cp,gas | 994.48 | J/mol×K | 965.29 | Joback Calculated Property |
| Cp,gas | 1007.40 | J/mol×K | 999.66 | Joback Calculated Property |
| Cp,gas | 1019.20 | J/mol×K | 1034.02 | Joback Calculated Property |
| Cp,gas | 1029.92 | J/mol×K | 1068.38 | Joback Calculated Property |
| Cp,gas | 1039.59 | J/mol×K | 1102.74 | Joback Calculated Property |
| η | [0.0000401; 0.0005010] | Pa×s | [527.09; 896.57] |
|
| η | 0.0005010 | Pa×s | 527.09 | Joback Calculated Property |
| η | 0.0002640 | Pa×s | 588.67 | Joback Calculated Property |
| η | 0.0001570 | Pa×s | 650.25 | Joback Calculated Property |
| η | 0.0001022 | Pa×s | 711.83 | Joback Calculated Property |
| η | 0.0000712 | Pa×s | 773.41 | Joback Calculated Property |
| η | 0.0000523 | Pa×s | 834.99 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 896.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl phenethyl ester.
Sources
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