- InChI
- InChI=1S/C16H26O4/c1-3-5-8-12-20-16(18)14-10-7-6-9-13(14)15(17)19-11-4-2/h4,13-14H,2-3,5-12H2,1H3
- InChI Key
- PTICFFHNHCPTAL-UHFFFAOYSA-N
- Formula
- C16H26O4
- SMILES
- C=CCOC(=O)C1CCCCC1C(=O)OCCCCC
- Molecular Weight1
- 282.38
- 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° | -279.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -703.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.97 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 3.255 | Crippen Calculated Property | |
| McVol | 236.020 | ml/mol | McGowan Calculated Property |
| Pc | 1668.70 | kPa | Joback Calculated Property |
| Inp | [1917.00; 1917.00] |
|
|
| Inp | 1917.00 | NIST | |
| Inp | 1917.00 | NIST | |
| Tboil | 729.62 | K | Joback Calculated Property |
| Tc | 928.35 | K | Joback Calculated Property |
| Tfus | 415.78 | K | Joback Calculated Property |
| Vc | 0.892 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.42; 799.29] | J/mol×K | [729.62; 928.35] |
|
| Cp,gas | 706.42 | J/mol×K | 729.62 | Joback Calculated Property |
| Cp,gas | 724.72 | J/mol×K | 762.74 | Joback Calculated Property |
| Cp,gas | 741.87 | J/mol×K | 795.86 | Joback Calculated Property |
| Cp,gas | 757.90 | J/mol×K | 828.98 | Joback Calculated Property |
| Cp,gas | 772.80 | J/mol×K | 862.10 | Joback Calculated Property |
| Cp,gas | 786.59 | J/mol×K | 895.22 | Joback Calculated Property |
| Cp,gas | 799.29 | J/mol×K | 928.35 | Joback Calculated Property |
| η | [0.0001266; 0.0014624] | Pa×s | [415.78; 729.62] |
|
| η | 0.0014624 | Pa×s | 415.78 | Joback Calculated Property |
| η | 0.0007745 | Pa×s | 468.09 | Joback Calculated Property |
| η | 0.0004661 | Pa×s | 520.39 | Joback Calculated Property |
| η | 0.0003078 | Pa×s | 572.70 | Joback Calculated Property |
| η | 0.0002178 | Pa×s | 625.01 | Joback Calculated Property |
| η | 0.0001626 | Pa×s | 677.31 | Joback Calculated Property |
| η | 0.0001266 | Pa×s | 729.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, allyl pentyl ester.
Sources
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