- InChI
- InChI=1S/C31H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-26-34-30(32)23-17-18-24-31(33)35-27-25-29(4)22-20-21-28(2)3/h21,29H,5-20,22-27H2,1-4H3
- InChI Key
- UWHNXSUQQGGPQW-UHFFFAOYSA-N
- Formula
- C31H58O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCC(=O)
OCCC(C)CCC=C(C)C - Molecular Weight1
- 494.79
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.3040 | Relay (... Calculated Property | |
| ΔfG° | -188.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1223.46 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 76.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.05 | kJ/mol | Relay (... Calculated Property |
| IE | 8.64 | eV | Relay (... Calculated Property |
| log10WS | -8.21 | Relay (... Calculated Property | |
| logPoct/wat | 9.497 | Crippen Calculated Property | |
| McVol | 458.230 | ml/mol | McGowan Calculated Property |
| Pc | 613.60 | kPa | Joback Calculated Property |
| Inp | [3367.00; 3367.00] |
|
|
| Inp | 3367.00 | NIST | |
| Inp | 3367.00 | NIST | |
| Tboil | 691.56 | K | Relay (... Calculated Property |
| Tc | 858.70 | K | Relay (... Calculated Property |
| Tfus | 284.31 | K | Relay (... Calculated Property |
| Vc | 1.724 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1642.42; 1756.01] | J/mol×K | [1064.86; 1335.88] |
|
| Cp,gas | 1642.42 | J/mol×K | 1064.86 | Joback Calculated Property |
| Cp,gas | 1666.59 | J/mol×K | 1110.03 | Joback Calculated Property |
| Cp,gas | 1688.47 | J/mol×K | 1155.20 | Joback Calculated Property |
| Cp,gas | 1708.19 | J/mol×K | 1200.37 | Joback Calculated Property |
| Cp,gas | 1725.92 | J/mol×K | 1245.54 | Joback Calculated Property |
| Cp,gas | 1741.81 | J/mol×K | 1290.71 | Joback Calculated Property |
| Cp,gas | 1756.01 | J/mol×K | 1335.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, «beta»-citronellyl pentadecyl ester.
Sources
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