- InChI
- InChI=1S/C20H34O4/c1-3-5-6-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-4-2/h4,17-18H,2-3,5-16H2,1H3
- InChI Key
- RTQICOOLQBUXRU-UHFFFAOYSA-N
- Formula
- C20H34O4
- SMILES
-
C=CCOC(=O)C1CCCCC1C(=O)OCCCCCC
CCC - Molecular Weight1
- 338.48
- 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° | -245.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.88 | kJ/mol | Joback Calculated Property |
| log10WS | -5.18 | Crippen Calculated Property | |
| logPoct/wat | 4.816 | Crippen Calculated Property | |
| McVol | 292.380 | ml/mol | McGowan Calculated Property |
| Pc | 1246.85 | kPa | Joback Calculated Property |
| Inp | [2325.00; 2325.00] |
|
|
| Inp | 2325.00 | NIST | |
| Inp | 2325.00 | NIST | |
| Tboil | 821.14 | K | Joback Calculated Property |
| Tc | 1017.79 | K | Joback Calculated Property |
| Tfus | 460.86 | K | Joback Calculated Property |
| Vc | 1.117 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [942.23; 1036.07] | J/mol×K | [821.14; 1017.79] |
|
| Cp,gas | 942.23 | J/mol×K | 821.14 | Joback Calculated Property |
| Cp,gas | 961.04 | J/mol×K | 853.92 | Joback Calculated Property |
| Cp,gas | 978.55 | J/mol×K | 886.69 | Joback Calculated Property |
| Cp,gas | 994.79 | J/mol×K | 919.47 | Joback Calculated Property |
| Cp,gas | 1009.77 | J/mol×K | 952.24 | Joback Calculated Property |
| Cp,gas | 1023.53 | J/mol×K | 985.02 | Joback Calculated Property |
| Cp,gas | 1036.07 | J/mol×K | 1017.79 | Joback Calculated Property |
| η | [0.0000755; 0.0010265] | Pa×s | [460.86; 821.14] |
|
| η | 0.0010265 | Pa×s | 460.86 | Joback Calculated Property |
| η | 0.0005171 | Pa×s | 520.91 | Joback Calculated Property |
| η | 0.0003001 | Pa×s | 580.95 | Joback Calculated Property |
| η | 0.0001929 | Pa×s | 641.00 | Joback Calculated Property |
| η | 0.0001337 | Pa×s | 701.05 | Joback Calculated Property |
| η | 0.0000982 | Pa×s | 761.09 | Joback Calculated Property |
| η | 0.0000755 | Pa×s | 821.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, allyl nonyl ester.
Sources
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