- InChI
- InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-19(2)29-24(27)11-10-23(26)28-18-25-15-20-12-21(16-25)14-22(13-20)17-25/h19-22H,3-18H2,1-2H3
- InChI Key
- BMHXZSILSKECKX-UHFFFAOYSA-N
- Formula
- C25H42O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)OCC12
CC3CC(CC(C3)C1)C2 - Molecular Weight1
- 406.60
- 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 | 0.9576 | Relay (... Calculated Property | |
| ΔfG° | -153.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1124.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 49.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.85 | kJ/mol | Relay (... Calculated Property |
| IE | 9.42 | eV | Relay (... Calculated Property |
| log10WS | -6.69 | Relay (... Calculated Property | |
| logPoct/wat | 6.209 | Crippen Calculated Property | |
| McVol | 345.410 | ml/mol | McGowan Calculated Property |
| Pc | 1046.65 | kPa | Joback Calculated Property |
| Inp | 2944.00 | NIST | |
| Tboil | 679.92 | K | Relay (... Calculated Property |
| Tc | 918.50 | K | Relay (... Calculated Property |
| Tfus | 401.01 | K | Relay (... Calculated Property |
| Vc | 1.301 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1242.28; 1383.48] | J/mol×K | [943.60; 1157.33] | 
|
| Cp,gas | 1242.28 | J/mol×K | 943.60 | Joback Calculated Property |
| Cp,gas | 1265.99 | J/mol×K | 979.22 | Joback Calculated Property |
| Cp,gas | 1289.38 | J/mol×K | 1014.84 | Joback Calculated Property |
| Cp,gas | 1312.63 | J/mol×K | 1050.47 | Joback Calculated Property |
| Cp,gas | 1335.94 | J/mol×K | 1086.09 | Joback Calculated Property |
| Cp,gas | 1359.49 | J/mol×K | 1121.71 | Joback Calculated Property |
| Cp,gas | 1383.48 | J/mol×K | 1157.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, (adamant-1-yl)methyl dec-2-yl ester.
Sources
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