- InChI
- InChI=1S/C17H28O4/c1-4-11-20-16(18)14-9-5-6-10-15(14)17(19)21-12-7-8-13(2)3/h4,13-15H,1,5-12H2,2-3H3
- InChI Key
- LWLZLLLXKPWEIQ-UHFFFAOYSA-N
- Formula
- C17H28O4
- SMILES
-
C=CCOC(=O)C1CCCCC1C(=O)OCCCC(C
)C - Molecular Weight1
- 296.40
- 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° | -273.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -729.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.69 | Crippen Calculated Property | |
| logPoct/wat | 3.501 | Crippen Calculated Property | |
| McVol | 250.110 | ml/mol | McGowan Calculated Property |
| Pc | 1554.90 | kPa | Joback Calculated Property |
| Inp | [1972.00; 1972.00] |
|
|
| Inp | 1972.00 | NIST | |
| Inp | 1972.00 | NIST | |
| Tboil | 752.06 | K | Joback Calculated Property |
| Tc | 952.12 | K | Joback Calculated Property |
| Tfus | 412.05 | K | Joback Calculated Property |
| Vc | 0.943 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [764.52; 858.85] | J/mol×K | [752.06; 952.12] |
|
| Cp,gas | 764.52 | J/mol×K | 752.06 | Joback Calculated Property |
| Cp,gas | 783.24 | J/mol×K | 785.40 | Joback Calculated Property |
| Cp,gas | 800.75 | J/mol×K | 818.75 | Joback Calculated Property |
| Cp,gas | 817.04 | J/mol×K | 852.09 | Joback Calculated Property |
| Cp,gas | 832.15 | J/mol×K | 885.43 | Joback Calculated Property |
| Cp,gas | 846.08 | J/mol×K | 918.78 | Joback Calculated Property |
| Cp,gas | 858.85 | J/mol×K | 952.12 | Joback Calculated Property |
| η | [0.0001031; 0.0015957] | Pa×s | [412.05; 752.06] |
|
| η | 0.0015957 | Pa×s | 412.05 | Joback Calculated Property |
| η | 0.0007670 | Pa×s | 468.72 | Joback Calculated Property |
| η | 0.0004318 | Pa×s | 525.39 | Joback Calculated Property |
| η | 0.0002718 | Pa×s | 582.05 | Joback Calculated Property |
| η | 0.0001858 | Pa×s | 638.72 | Joback Calculated Property |
| η | 0.0001351 | Pa×s | 695.39 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 752.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, allyl isohexyl ester.
Sources
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