- InChI
- InChI=1S/C15H22/c1-15-5-12-9-2-8-3-10(12)14(7-15)11(4-8)13(9)6-15/h8-14H,2-7H2,1H3
- InChI Key
- QMRMNHDCVOQSGK-UHFFFAOYSA-N
- Formula
- C15H22
- SMILES
- CC12CC3C4CC5CC3C(C1)C(C5)C4C2
- Molecular Weight1
- 202.34
- CAS
- 28375-86-2
- Other Names
-
- 4-Methylpentacyclo[7.3.1.1.(4,12).0(2,7).0(6,11)]tetra-decane(4-methyldiamantan)
- ω : Acentric Factor.
- 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 | 0.3850 | Relay (... Calculated Property | |
| ΔcH°solid | -8786.40 ± 2.00 | kJ/mol | NIST |
| ΔfG° | 362.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.30 ± 2.40 | kJ/mol | NIST |
| ΔfH°solid | -260.40 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 24.30 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [103.10; 103.10] | kJ/mol |
|
| ΔsubH° | 103.10 | kJ/mol | NIST |
| ΔsubH° | 103.10 | kJ/mol | NIST |
| ΔvapH° | 65.87 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -6.61 | Relay (... Calculated Property | |
| logPoct/wat | 3.715 | Crippen Calculated Property | |
| McVol | 167.910 | ml/mol | McGowan Calculated Property |
| Pc | 2295.91 | kPa | Joback Calculated Property |
| Tboil | 535.73 | K | Relay (... Calculated Property |
| Tc | 805.57 | K | Relay (... Calculated Property |
| Tfus | 435.50 | K | Relay (... Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.93; 614.91] | J/mol×K | [558.26; 780.59] |
|
| Cp,gas | 492.93 | J/mol×K | 558.26 | Joback Calculated Property |
| Cp,gas | 517.05 | J/mol×K | 595.32 | Joback Calculated Property |
| Cp,gas | 539.28 | J/mol×K | 632.37 | Joback Calculated Property |
| Cp,gas | 559.91 | J/mol×K | 669.43 | Joback Calculated Property |
| Cp,gas | 579.20 | J/mol×K | 706.48 | Joback Calculated Property |
| Cp,gas | 597.44 | J/mol×K | 743.54 | Joback Calculated Property |
| Cp,gas | 614.91 | J/mol×K | 780.59 | Joback Calculated Property |
| ΔsubH | 79.40 ± 1.30 | kJ/mol | 321.50 | NIST |
Similar Compounds
Find more compounds similar to 3-Methyldiadamantane.
Sources
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