- InChI
- InChI=1S/C15H24O2/c1-3-10(2)17-14(16)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,3-9H2,1-2H3
- InChI Key
- OTFHZSAGXXABSX-UHFFFAOYSA-N
- Formula
- C15H24O2
- SMILES
-
CCC(C)OC(=O)C12CC3CC(CC(C3)C1)
C2 - Molecular Weight1
- 236.35
- CAS
- 24556-19-2
- Other Names
-
- Adamantane-1-carboxylic acid, sec.-butyl ester
- 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.
- I : 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 | 0.5150 | Relay (1.0) Calculated Property | |
| ΔfG° | -3.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -593.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.545 | Crippen Calculated Property | |
| McVol | 197.070 | ml/mol | McGowan Calculated Property |
| Pc | 2110.00 | kPa | Joback Calculated Property |
| Inp | [1631.00; 1670.00] |
|
|
| Inp | 1631.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1631.00 | NIST | |
| I | [1994.00; 2036.00] |
|
|
| I | 1994.00 | NIST | |
| I | 2015.00 | NIST | |
| I | 2036.00 | NIST | |
| Tboil | 566.72 | K | Relay (1.0) Calculated Property |
| Tc | 805.75 | K | Relay (1.0) Calculated Property |
| Tfus | 425.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.734 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [581.22; 690.71] | J/mol×K | [638.51; 854.28] |
|
| Cp,gas | 581.22 | J/mol×K | 638.51 | Joback Calculated Property |
| Cp,gas | 601.85 | J/mol×K | 674.47 | Joback Calculated Property |
| Cp,gas | 621.29 | J/mol×K | 710.43 | Joback Calculated Property |
| Cp,gas | 639.71 | J/mol×K | 746.39 | Joback Calculated Property |
| Cp,gas | 657.31 | J/mol×K | 782.36 | Joback Calculated Property |
| Cp,gas | 674.24 | J/mol×K | 818.32 | Joback Calculated Property |
| Cp,gas | 690.71 | J/mol×K | 854.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Adamantanecarboxylic acid, 2-butyl ester.
Sources
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