- InChI
- InChI=1S/C21H32O4/c22-19(24-13-14-4-2-1-3-5-14)6-7-20(23)25-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-18,21H,1-13H2
- InChI Key
- FXYYPDGIDRCHAR-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
O=C(CCC(=O)OC1C2CC3CC(C2)CC1C3
)OCC1CCCCC1 - Molecular Weight1
- 348.48
- ω : Acentric Factor.
- 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).
- 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 | 0.7433 | Relay (1.0) Calculated Property | |
| ΔfG° | -162.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1011.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.258 | Crippen Calculated Property | |
| McVol | 278.190 | ml/mol | McGowan Calculated Property |
| Pc | 1493.04 | kPa | Joback Calculated Property |
| Inp | [2806.00; 2806.00] |
|
|
| Inp | 2806.00 | NIST | |
| Inp | 2806.00 | NIST | |
| Tboil | 684.45 | K | Relay (1.0) Calculated Property |
| Tc | 935.13 | K | Relay (1.0) Calculated Property |
| Tfus | 452.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.054 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [990.31; 1092.81] | J/mol×K | [867.16; 1088.91] |
|
| Cp,gas | 990.31 | J/mol×K | 867.16 | Joback Calculated Property |
| Cp,gas | 1010.76 | J/mol×K | 904.12 | Joback Calculated Property |
| Cp,gas | 1029.73 | J/mol×K | 941.08 | Joback Calculated Property |
| Cp,gas | 1047.32 | J/mol×K | 978.03 | Joback Calculated Property |
| Cp,gas | 1063.63 | J/mol×K | 1014.99 | Joback Calculated Property |
| Cp,gas | 1078.76 | J/mol×K | 1051.95 | Joback Calculated Property |
| Cp,gas | 1092.81 | J/mol×K | 1088.91 | Joback Calculated Property |
| η | [0.0017118; 0.0047271] | Pa×s | [519.95; 867.16] |
|
| η | 0.0047271 | Pa×s | 519.95 | Joback Calculated Property |
| η | 0.0036665 | Pa×s | 577.82 | Joback Calculated Property |
| η | 0.0029785 | Pa×s | 635.69 | Joback Calculated Property |
| η | 0.0025050 | Pa×s | 693.56 | Joback Calculated Property |
| η | 0.0021637 | Pa×s | 751.42 | Joback Calculated Property |
| η | 0.0019084 | Pa×s | 809.29 | Joback Calculated Property |
| η | 0.0017118 | Pa×s | 867.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl adamant-2-yl ester.
Sources
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