- InChI
- InChI=1S/C13H21NO/c1-14(2)12(15)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8H2,1-2H3
- InChI Key
- RMRZPLJAVNSFCJ-UHFFFAOYSA-N
- Formula
- C13H21NO
- SMILES
- CN(C)C(=O)C12CC3CC(CC(C3)C1)C2
- Molecular Weight1
- 207.31
- CAS
- 1502-00-7
- Other Names
-
- Tricyclo[3.3.1.13,7]decane-1-carboxamide, N,N-dimethyl-
- N,N-Dimethyl-1-adamantanecarboxamide
- N,N-Dimethyl-1-adamantylcarboxamide
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 | 0.4588 | Relay (1.0) Calculated Property | |
| PAff | 949.40 | kJ/mol | NIST |
| BasG | 917.60 | kJ/mol | NIST |
| ΔcH°solid | -7733.20 ± 2.10 | kJ/mol | NIST |
| ΔfG° | 197.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.10 ± 2.70 | kJ/mol | NIST |
| ΔfH°solid | -383.60 ± 2.70 | kJ/mol | NIST |
| ΔfusH° | 21.12 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [97.50; 97.50] | kJ/mol |
|
| ΔsubH° | 97.50 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 97.50 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 71.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.291 | Crippen Calculated Property | |
| McVol | 173.000 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Tboil | 565.56 | K | Relay (1.0) Calculated Property |
| Tc | 812.20 | K | Relay (1.0) Calculated Property |
| Tfus | 473.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.645 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.64; 590.44] | J/mol×K | [583.21; 801.50] |
|
| Cp,gas | 484.64 | J/mol×K | 583.21 | Joback Calculated Property |
| Cp,gas | 505.23 | J/mol×K | 619.59 | Joback Calculated Property |
| Cp,gas | 524.36 | J/mol×K | 655.97 | Joback Calculated Property |
| Cp,gas | 542.24 | J/mol×K | 692.36 | Joback Calculated Property |
| Cp,gas | 559.08 | J/mol×K | 728.74 | Joback Calculated Property |
| Cp,gas | 575.07 | J/mol×K | 765.12 | Joback Calculated Property |
| Cp,gas | 590.44 | J/mol×K | 801.50 | Joback Calculated Property |
| ΔsubH | 96.90 ± 0.30 | kJ/mol | 312.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Adamantanecarboxamide, N,N-dimethyl-.
Sources
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