- InChI
- InChI=1S/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
- InChI Key
- CAZPRAORHCOIHC-UHFFFAOYSA-N
- Formula
- C5H11ClO
- SMILES
- CC(C)(CO)CCl
- Molecular Weight1
- 122.59
- Other Names
-
- 1-Propanol, 3-chloro-2,2-dimethyl-
- 3-chloro-2,2-dimethylpropan-1-ol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Pvap : Vapor 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 | 0.5590 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.244 | Crippen Calculated Property | |
| McVol | 99.420 | ml/mol | McGowan Calculated Property |
| Pc | 3791.65 | kPa | Joback Calculated Property |
| Tboil | 439.15 | K | Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of 3,3-Dimethyloxetane + Methyl Cyclohexane and 3-Chloro-2,2-dimethyl-1-propanol + Methyl Cyclohexane at 101.3 kPa |
| Tc | 649.58 | K | Relay (1.0) Calculated Property |
| Tfus | 309.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.349 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.80; 244.17] | J/mol×K | [440.18; 619.06] | 
|
| Cp,gas | 196.80 | J/mol×K | 440.18 | Joback Calculated Property |
| Cp,gas | 205.84 | J/mol×K | 469.99 | Joback Calculated Property |
| Cp,gas | 214.39 | J/mol×K | 499.81 | Joback Calculated Property |
| Cp,gas | 222.48 | J/mol×K | 529.62 | Joback Calculated Property |
| Cp,gas | 230.12 | J/mol×K | 559.43 | Joback Calculated Property |
| Cp,gas | 237.35 | J/mol×K | 589.24 | Joback Calculated Property |
| Cp,gas | 244.17 | J/mol×K | 619.06 | Joback Calculated Property |
| η | [0.0002813; 0.0728117] | Pa×s | [239.27; 440.18] |
|
| η | 0.0728117 | Pa×s | 239.27 | Joback Calculated Property |
| η | 0.0163368 | Pa×s | 272.75 | Joback Calculated Property |
| η | 0.0050824 | Pa×s | 306.24 | Joback Calculated Property |
| η | 0.0019904 | Pa×s | 339.72 | Joback Calculated Property |
| η | 0.0009223 | Pa×s | 373.21 | Joback Calculated Property |
| η | 0.0004850 | Pa×s | 406.69 | Joback Calculated Property |
| η | 0.0002813 | Pa×s | 440.18 | Joback Calculated Property |
| Pvap | 101.30 | kPa | 439.15 | Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of 3,3-Dimethyloxetane + Methyl Cyclohexane and 3-Chloro-2,2-dimethyl-1-propanol + Methyl Cyclohexane at 101.3 kPa |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 360.20 | K | 4.70 | NIST |
Similar Compounds
Find more compounds similar to 3-CHLORO-2,2-DIMETHYL-1-PROPANOL.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of 3,3-Dimethyloxetane + Methyl Cyclohexane and 3-Chloro-2,2-dimethyl-1-propanol + Methyl Cyclohexane at 101.3 kPa
- Joback Method
- McGowan Method
- NIST Webbook
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