- InChI
- InChI=1S/C21H34O4/c1-2-3-4-10-15-24-20(22)18-13-8-9-14-19(18)21(23)25-16-17-11-6-5-7-12-17/h5-6,17-19H,2-4,7-16H2,1H3
- InChI Key
- GQFLOEOTHCQOOA-UHFFFAOYSA-N
- Formula
- C21H34O4
- SMILES
-
CCCCCCOC(=O)C1CCCCC1C(=O)OCC1C
C=CCC1 - Molecular Weight1
- 350.49
- 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° | -270.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.49 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 4.816 | Crippen Calculated Property | |
| McVol | 295.610 | ml/mol | McGowan Calculated Property |
| Pc | 1342.74 | kPa | Joback Calculated Property |
| Inp | [2513.00; 2513.00] |
|
|
| Inp | 2513.00 | NIST | |
| Inp | 2513.00 | NIST | |
| Tboil | 866.05 | K | Joback Calculated Property |
| Tc | 1080.10 | K | Joback Calculated Property |
| Tfus | 482.03 | K | Joback Calculated Property |
| Vc | 1.111 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [999.32; 1090.56] | J/mol×K | [866.05; 1080.10] |
|
| Cp,gas | 999.32 | J/mol×K | 866.05 | Joback Calculated Property |
| Cp,gas | 1018.67 | J/mol×K | 901.72 | Joback Calculated Property |
| Cp,gas | 1036.32 | J/mol×K | 937.40 | Joback Calculated Property |
| Cp,gas | 1052.31 | J/mol×K | 973.07 | Joback Calculated Property |
| Cp,gas | 1066.66 | J/mol×K | 1008.75 | Joback Calculated Property |
| Cp,gas | 1079.40 | J/mol×K | 1044.42 | Joback Calculated Property |
| Cp,gas | 1090.56 | J/mol×K | 1080.10 | Joback Calculated Property |
| η | [0.0000690; 0.0010206] | Pa×s | [482.03; 866.05] |
|
| η | 0.0010206 | Pa×s | 482.03 | Joback Calculated Property |
| η | 0.0005006 | Pa×s | 546.03 | Joback Calculated Property |
| η | 0.0002851 | Pa×s | 610.04 | Joback Calculated Property |
| η | 0.0001807 | Pa×s | 674.04 | Joback Calculated Property |
| η | 0.0001240 | Pa×s | 738.04 | Joback Calculated Property |
| η | 0.0000903 | Pa×s | 802.05 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 866.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl hexyl ester.
Sources
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