- InChI
- InChI=1S/C5H10/c1-5(2)3-4-5/h3-4H2,1-2H3
- InChI Key
- PBIJFSCPEFQXBB-UHFFFAOYSA-N
- Formula
- C5H10
- SMILES
- CC1(C)CC1
- Molecular Weight1
- 70.13
- CAS
- 1630-94-0
- Other Names
-
- 1,1-Dimethylcyclopropane
- GEM-DIMETHYLCYCLOROPANE
- Gem-Dimethylcyclopropane
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2225 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3363.40 ± 0.71 | kJ/mol | NIST |
| ΔfG° | 46.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8.20 ± 1.20 | kJ/mol | NIST |
| ΔfH°liquid | -33.30 ± 0.79 | kJ/mol | NIST |
| ΔfusH° | 0.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [25.00; 25.10] | kJ/mol |
|
| ΔvapH° | 25.00 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 25.10 | kJ/mol | NIST |
| ΔvapH° | 25.10 ± 0.80 | kJ/mol | NIST |
| IE | [8.98; 9.80] | eV |
|
| IE | 8.98 ± 0.05 | eV | NIST |
| IE | 9.10 | eV | NIST |
| IE | 9.08 | eV | NIST |
| IE | 9.76 ± 0.02 | eV | NIST |
| IE | 9.80 | eV | NIST |
| logPoct/wat | 1.806 | Crippen Calculated Property | |
| McVol | 70.450 | ml/mol | McGowan Calculated Property |
| Pc | 4311.22 | kPa | Joback Calculated Property |
| Inp | [458.80; 460.00] |
|
|
| Inp | 459.00 | NIST | |
| Inp | 458.80 | NIST | |
| Inp | 459.00 | NIST | |
| Inp | 460.00 | NIST | |
| Inp | 460.00 | NIST | |
| Inp | 460.00 | NIST | |
| Tboil | [292.15; 308.15] | K |
|
| Tboil | 293.80 | K | NIST |
| Tboil | 294.00 ± 2.00 | K | NIST |
| Tboil | 293.82 ± 0.30 | K | NIST |
| Tboil | 293.78 ± 0.50 | K | NIST |
| Tboil | 292.15 ± 3.00 | K | NIST |
| Tboil | 293.78 ± 0.20 | K | NIST |
| Tboil | 293.80 ± 0.30 | K | NIST |
| Tboil | 292.95 ± 1.50 | K | NIST |
| Tboil | Outlier 308.15 | K | NIST |
| Tboil | 294.15 ± 2.00 | K | NIST |
| Tc | 480.36 | K | Relay (1.0) Calculated Property |
| Tfus | [164.06; 165.35] | K |
|
| Tfus | 164.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 164.19 ± 0.20 | K | NIST |
| Tfus | 164.19 ± 0.20 | K | NIST |
| Tfus | 164.19 ± 0.20 | K | NIST |
| Tfus | 164.19 ± 0.20 | K | NIST |
| Tfus | 164.06 ± 0.30 | K | NIST |
| Tfus | 164.06 ± 0.30 | K | NIST |
| Tfus | 164.19 ± 0.20 | K | NIST |
| Tfus | 165.35 ± 90.70 | K | NIST |
| Tfus | 165.35 ± 90.70 | K | NIST |
| Vc | 0.251 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [84.18; 264.35] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.01890e+02 | |||
| Coefficient B | 9.21640e-01 | |||
| Coefficient C | -1.00100e-03 | |||
| Coefficient D | 4.45600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 84.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 118.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 146.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 168.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 186.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 201.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 215.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 229.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 245.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 264.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [215.02; 315.03] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42059e+01 | |||
| Coefficient B | -2.46430e+03 | |||
| Coefficient C | -3.79700e+01 | |||
| Temperature range, min. | 215.02 | |||
| Temperature range, max. | 315.03 | |||
| Pvap | 1.33 | kPa | 215.02 | Calculated Property |
| Pvap | 3.03 | kPa | 226.13 | Calculated Property |
| Pvap | 6.29 | kPa | 237.24 | Calculated Property |
| Pvap | 12.09 | kPa | 248.36 | Calculated Property |
| Pvap | 21.77 | kPa | 259.47 | Calculated Property |
| Pvap | 37.03 | kPa | 270.58 | Calculated Property |
| Pvap | 60.03 | kPa | 281.69 | Calculated Property |
| Pvap | 93.29 | kPa | 292.81 | Calculated Property |
| Pvap | 139.74 | kPa | 303.92 | Calculated Property |
| Pvap | 202.64 | kPa | 315.03 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane, 1,1-dimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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