- InChI
- InChI=1S/C9H18/c1-4-5-6-8-7-9(8,2)3/h8H,4-7H2,1-3H3
- InChI Key
- DNSANEYRJQIXEM-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- CCCCC1CC1(C)C
- Molecular Weight1
- 126.24
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 72.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -161.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.08 | kJ/mol | Joback Calculated Property |
| log10WS | -3.00 | Crippen Calculated Property | |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Inp | [822.60; 822.60] |
|
|
| Inp | 822.60 | NIST | |
| Inp | 822.60 | NIST | |
| Tboil | 407.63 | K | Joback Calculated Property |
| Tc | 591.38 | K | Joback Calculated Property |
| Tfus | 228.79 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.42; 343.88] | J/mol×K | [407.63; 591.38] |
|
| Cp,gas | 258.42 | J/mol×K | 407.63 | Joback Calculated Property |
| Cp,gas | 274.99 | J/mol×K | 438.26 | Joback Calculated Property |
| Cp,gas | 290.52 | J/mol×K | 468.88 | Joback Calculated Property |
| Cp,gas | 305.09 | J/mol×K | 499.51 | Joback Calculated Property |
| Cp,gas | 318.79 | J/mol×K | 530.13 | Joback Calculated Property |
| Cp,gas | 331.69 | J/mol×K | 560.76 | Joback Calculated Property |
| Cp,gas | 343.88 | J/mol×K | 591.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-dimethyl-2-butyl-cyclopropane.
Sources
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