- InChI
- InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3
- InChI Key
- PIZQWRXTMGASCZ-UHFFFAOYSA-N
- Formula
- C5H10O
- SMILES
- CC1(CO)CC1
- Molecular Weight1
- 86.13
- CAS
- 2746-14-7
- ω : Acentric Factor.
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5199 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -218.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.779 | Crippen Calculated Property | |
| McVol | 76.320 | ml/mol | McGowan Calculated Property |
| Pc | 4883.38 | kPa | Joback Calculated Property |
| Tboil | 394.00 ± 2.00 | K | NIST |
| Tc | 601.72 | K | Relay (1.0) Calculated Property |
| Tfus | 258.00 ± 2.00 | K | NIST |
| Vc | 0.263 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.21; 202.89] | J/mol×K | [412.96; 595.50] | 
|
| Cp,gas | 154.21 | J/mol×K | 412.96 | Joback Calculated Property |
| Cp,gas | 164.04 | J/mol×K | 443.38 | Joback Calculated Property |
| Cp,gas | 173.08 | J/mol×K | 473.81 | Joback Calculated Property |
| Cp,gas | 181.40 | J/mol×K | 504.23 | Joback Calculated Property |
| Cp,gas | 189.10 | J/mol×K | 534.65 | Joback Calculated Property |
| Cp,gas | 196.23 | J/mol×K | 565.08 | Joback Calculated Property |
| Cp,gas | 202.89 | J/mol×K | 595.50 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 401.20 | K | 100.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Methylcyclopropanemethanol.
Sources
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