![Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-](/cid/10-464-5/Bicyclo-3-1-1-heptane-2-6-6-trimethyl.png "Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-")
- InChI
- InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
- InChI Key
- XOKSLPVRUOBDEW-UHFFFAOYSA-N
- Formula
- C10H18
- SMILES
- CC1CCC2CC1C2(C)C
- Molecular Weight1
- 138.25
- CAS
- 473-55-2
- Other Names
-
- Pinane
- Dihydropinene
- 2,6,6-Trimethylbicyclo(3.1.1)heptane
- 1a,2b,5a-2,6,6-Trimethylbicyclo(3.1.1)heptane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -6332.90 | kJ/mol | NIST |
| ΔfG° | 121.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.08 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 3.079 | Crippen Calculated Property | |
| McVol | 130.040 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Inp | 1002.00 | NIST | |
| I | 1129.00 | NIST | |
| Tboil | [438.00; 441.75] | K |
|
| Tboil | 440.90 ± 2.00 | K | NIST |
| Tboil | 438.00 ± 4.00 | K | NIST |
| Tboil | 441.75 ± 0.30 | K | NIST |
| Tc | 642.10 | K | Joback Calculated Property |
| Tfus | [193.05; 220.00] | K |
|
| Tfus | 220.00 ± 1.00 | K | NIST |
| Tfus | 193.05 ± 0.30 | K | NIST |
| Vc | 0.497 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.02; 389.91] | J/mol×K | [436.85; 642.10] |
|
| Cp,gas | 287.02 | J/mol×K | 436.85 | Joback Calculated Property |
| Cp,gas | 307.28 | J/mol×K | 471.06 | Joback Calculated Property |
| Cp,gas | 326.14 | J/mol×K | 505.27 | Joback Calculated Property |
| Cp,gas | 343.70 | J/mol×K | 539.47 | Joback Calculated Property |
| Cp,gas | 360.10 | J/mol×K | 573.68 | Joback Calculated Property |
| Cp,gas | 375.46 | J/mol×K | 607.89 | Joback Calculated Property |
| Cp,gas | 389.91 | J/mol×K | 642.10 | Joback Calculated Property |
| Cp,liquid | [231.40; 231.80] | J/mol×K | [311.00; 313.00] |
|
| Cp,liquid | 231.40 | J/mol×K | 311.00 | NIST |
| Cp,liquid | 231.80 | J/mol×K | 313.00 | NIST |
Similar Compounds
Find more compounds similar to Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-.
Sources
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