- InChI
- InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3
- InChI Key
- BXIIJPAVISPOGI-UHFFFAOYSA-N
- Formula
- C6H12
- SMILES
- CC1CC1(C)C
- Molecular Weight1
- 84.16
- CAS
- 4127-45-1
- Other Names
-
- 1,1,2-Trimethylcyclopropane
- ΔcH°liquid : Standard liquid 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°liquid : Liquid phase 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔcH°liquid | -3979.90 ± 0.75 | kJ/mol | NIST |
| ΔfG° | 47.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.47 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -96.19 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 4.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.40 | kJ/mol | Joback Calculated Property |
| IE | [8.90; 8.90] | eV |
|
| IE | 8.90 ± 0.05 | eV | NIST |
| IE | 8.90 | eV | NIST |
| log10WS | -1.75 | Crippen Calculated Property | |
| logPoct/wat | 2.052 | Crippen Calculated Property | |
| McVol | 84.540 | ml/mol | McGowan Calculated Property |
| Pc | 3664.21 | kPa | Joback Calculated Property |
| Inp | [548.00; 552.00] |
|
|
| Inp | 548.00 | NIST | |
| Inp | 548.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 548.50 | NIST | |
| Inp | 549.90 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 549.00 | NIST | |
| Inp | 548.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 548.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 549.90 | NIST | |
| Tboil | [325.64; 330.15] | K |
|
| Tboil | 325.80 ± 0.60 | K | NIST |
| Tboil | 325.75 ± 1.00 | K | NIST |
| Tboil | 325.70 ± 0.20 | K | NIST |
| Tboil | 325.71 ± 0.20 | K | NIST |
| Tboil | 326.15 ± 2.00 | K | NIST |
| Tboil | 325.70 ± 0.30 | K | NIST |
| Tboil | 325.64 ± 0.20 | K | NIST |
| Tboil | 325.70 ± 0.20 | K | NIST |
| Tboil | 325.70 ± 0.30 | K | NIST |
| Tboil | Outlier 330.15 ± 3.00 | K | NIST |
| Tc | 525.10 | K | Joback Calculated Property |
| Tfus | [134.76; 134.98] | K |
|
| Tfus | 134.86 ± 0.25 | K | NIST |
| Tfus | 134.88 ± 0.20 | K | NIST |
| Tfus | 134.98 ± 0.20 | K | NIST |
| Tfus | 134.98 ± 0.20 | K | NIST |
| Tfus | 134.94 ± 0.08 | K | NIST |
| Tfus | 134.97 ± 0.05 | K | NIST |
| Tfus | 134.76 ± 0.30 | K | NIST |
| Tfus | 134.86 ± 0.30 | K | NIST |
| Vc | 0.326 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.60; 209.50] | J/mol×K | [338.99; 525.10] |
|
| Cp,gas | 140.60 | J/mol×K | 338.99 | Joback Calculated Property |
| Cp,gas | 154.35 | J/mol×K | 370.01 | Joback Calculated Property |
| Cp,gas | 167.09 | J/mol×K | 401.03 | Joback Calculated Property |
| Cp,gas | 178.89 | J/mol×K | 432.04 | Joback Calculated Property |
| Cp,gas | 189.85 | J/mol×K | 463.06 | Joback Calculated Property |
| Cp,gas | 200.02 | J/mol×K | 494.08 | Joback Calculated Property |
| Cp,gas | 209.50 | J/mol×K | 525.10 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [240.47; 346.65] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51914e+01 | |||
| Coefficient B | -3.11203e+03 | |||
| Coefficient C | -3.16640e+01 | |||
| Temperature range, min. | 240.47 | |||
| Temperature range, max. | 346.65 | |||
| Pvap | 1.33 | kPa | 240.47 | Calculated Property |
| Pvap | 2.96 | kPa | 252.27 | Calculated Property |
| Pvap | 6.05 | kPa | 264.07 | Calculated Property |
| Pvap | 11.56 | kPa | 275.86 | Calculated Property |
| Pvap | 20.80 | kPa | 287.66 | Calculated Property |
| Pvap | 35.53 | kPa | 299.46 | Calculated Property |
| Pvap | 58.02 | kPa | 311.26 | Calculated Property |
| Pvap | 91.05 | kPa | 323.05 | Calculated Property |
| Pvap | 137.97 | kPa | 334.85 | Calculated Property |
| Pvap | 202.65 | kPa | 346.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane, 1,1,2-trimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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