- InChI
- InChI=1S/C23H37ClO4/c1-23(2)19-13-12-18(20(23)16-19)17-28-22(26)11-9-10-21(25)27-15-8-6-4-3-5-7-14-24/h12,19-20H,3-11,13-17H2,1-2H3
- InChI Key
- APPBDYAQVBBBNQ-UHFFFAOYSA-N
- Formula
- C23H37ClO4
- SMILES
-
CC1(C)C2CC=C(COC(=O)CCCC(=O)OC
CCCCCCCCl)C1C2 - Molecular Weight1
- 412.99
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -220.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.98 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.815 | Crippen Calculated Property | |
| McVol | 336.030 | ml/mol | McGowan Calculated Property |
| Pc | 1072.87 | kPa | Joback Calculated Property |
| Inp | [2970.00; 2970.00] |
|
|
| Inp | 2970.00 | NIST | |
| Inp | 2970.00 | NIST | |
| Tboil | 933.11 | K | Joback Calculated Property |
| Tc | 1144.23 | K | Joback Calculated Property |
| Tfus | 588.51 | K | Joback Calculated Property |
| Vc | 1.310 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1130.71; 1253.57] | J/mol×K | [933.11; 1144.23] |
|
| Cp,gas | 1130.71 | J/mol×K | 933.11 | Joback Calculated Property |
| Cp,gas | 1151.61 | J/mol×K | 968.30 | Joback Calculated Property |
| Cp,gas | 1172.15 | J/mol×K | 1003.48 | Joback Calculated Property |
| Cp,gas | 1192.47 | J/mol×K | 1038.67 | Joback Calculated Property |
| Cp,gas | 1212.72 | J/mol×K | 1073.86 | Joback Calculated Property |
| Cp,gas | 1233.03 | J/mol×K | 1109.05 | Joback Calculated Property |
| Cp,gas | 1253.57 | J/mol×K | 1144.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, myrtenyl 8-chlorooctyl ester.
Sources
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