- InChI
- InChI=1S/C26H48O4/c1-5-6-7-8-9-10-11-14-21-29-25(27)18-12-13-19-26(28)30-22-20-24(4)17-15-16-23(2)3/h16,24H,5-15,17-22H2,1-4H3
- InChI Key
- RDJBMEASUYNYQI-UHFFFAOYSA-N
- Formula
- C26H48O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCC(=O)OCCC(
C)CCC=C(C)C - Molecular Weight1
- 424.66
- 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).
- 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° | -230.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -967.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.43 | kJ/mol | Joback Calculated Property |
| log10WS | -8.04 | Crippen Calculated Property | |
| logPoct/wat | 7.546 | Crippen Calculated Property | |
| McVol | 387.780 | ml/mol | McGowan Calculated Property |
| Pc | 790.37 | kPa | Joback Calculated Property |
| Inp | 2861.00 | NIST | |
| Tboil | 950.46 | K | Joback Calculated Property |
| Tc | 1166.63 | K | Joback Calculated Property |
| Tfus | 493.06 | K | Joback Calculated Property |
| Vc | 1.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1317.56; 1419.77] | J/mol×K | [950.46; 1166.63] | 
|
| Cp,gas | 1317.56 | J/mol×K | 950.46 | Joback Calculated Property |
| Cp,gas | 1338.10 | J/mol×K | 986.49 | Joback Calculated Property |
| Cp,gas | 1357.16 | J/mol×K | 1022.52 | Joback Calculated Property |
| Cp,gas | 1374.79 | J/mol×K | 1058.54 | Joback Calculated Property |
| Cp,gas | 1391.06 | J/mol×K | 1094.57 | Joback Calculated Property |
| Cp,gas | 1406.04 | J/mol×K | 1130.60 | Joback Calculated Property |
| Cp,gas | 1419.77 | J/mol×K | 1166.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, «beta»-citronellyl decyl ester.
Sources
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