- InChI
- InChI=1S/C17H23ClO4/c1-11(2)13(4)21-16(19)6-5-7-17(20)22-15-9-8-14(18)10-12(15)3/h8-11,13H,5-7H2,1-4H3
- InChI Key
- LTZPOELVUBZTQH-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
Cc1cc(Cl)ccc1OC(=O)CCCC(=O)OC(
C)C(C)C - Molecular Weight1
- 326.81
- 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° | -299.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.96 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 4.312 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Pc | 1628.54 | kPa | Joback Calculated Property |
| Inp | [2238.00; 2238.00] |
|
|
| Inp | 2238.00 | NIST | |
| Inp | 2238.00 | NIST | |
| Tboil | 814.13 | K | Joback Calculated Property |
| Tc | 1024.57 | K | Joback Calculated Property |
| Tfus | 477.05 | K | Joback Calculated Property |
| Vc | 0.965 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.48; 802.47] | J/mol×K | [814.13; 1024.57] |
|
| Cp,gas | 731.48 | J/mol×K | 814.13 | Joback Calculated Property |
| Cp,gas | 746.01 | J/mol×K | 849.20 | Joback Calculated Property |
| Cp,gas | 759.44 | J/mol×K | 884.28 | Joback Calculated Property |
| Cp,gas | 771.80 | J/mol×K | 919.35 | Joback Calculated Property |
| Cp,gas | 783.08 | J/mol×K | 954.42 | Joback Calculated Property |
| Cp,gas | 793.30 | J/mol×K | 989.50 | Joback Calculated Property |
| Cp,gas | 802.47 | J/mol×K | 1024.57 | Joback Calculated Property |
| η | [0.0000615; 0.0007140] | Pa×s | [477.05; 814.13] |
|
| η | 0.0007140 | Pa×s | 477.05 | Joback Calculated Property |
| η | 0.0003826 | Pa×s | 533.23 | Joback Calculated Property |
| η | 0.0002309 | Pa×s | 589.41 | Joback Calculated Property |
| η | 0.0001521 | Pa×s | 645.59 | Joback Calculated Property |
| η | 0.0001072 | Pa×s | 701.77 | Joback Calculated Property |
| η | 0.0000795 | Pa×s | 757.95 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 814.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2-methyl-4-chlorophenyl ester.
Sources
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