- InChI
- InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3
- InChI Key
- KPSSIOMAKSHJJG-UHFFFAOYSA-N
- Formula
- C5H12O
- SMILES
- CC(C)(C)CO
- Molecular Weight1
- 88.15
- CAS
- 75-84-3
- Other Names
-
- (CH3)3CCH2OH
- 2,2,2-Trimethylethanol
- 2,2-Dimethyl-1-propanol
- 2,2-Dimethylpropanol
- 2,2-Dimethylpropyl alcohol
- 2-Methyl-isobutanol
- NEOAMYL ALCOHOL
- NEOPENTANOL
- Neopentyl alcohol
- TERT-BUTYLCARBINOL
- tert-Amyl alcohol
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6210 | KDB | |
| PAff | 795.50 | kJ/mol | NIST |
| BasG | 765.20 | kJ/mol | NIST |
| ΔfG° | -165.40 | kJ/mol | KDB |
| ΔfH°gas | -293.10 | kJ/mol | KDB |
| ΔfusH° | 2.90 | kJ/mol | Heat Ca... |
| ΔvapH° | 51.80 ± 0.30 | kJ/mol | NIST |
| IE | 9.72 ± 0.05 | eV | NIST |
| log10WS | [-0.40; -0.40] |
|
|
| log10WS | -0.40 | Aq. Sol... | |
| log10WS | -0.40 | Estimat... | |
| logPoct/wat | 1.025 | Crippen Calculated Property | |
| McVol | 87.180 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 2 | KDB | |
| Pc | 3970.00 | kPa | KDB |
| Inp | [631.00; 657.00] |
|
|
| Inp | 633.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | Outlier 657.00 | NIST | |
| Inp | 633.00 | NIST | |
| Inp | 631.00 | NIST | |
| Tboil | [375.65; 387.15] | K |
|
| Tboil | 386.30 | K | KDB |
| Tboil | 386.70 | K | NIST |
| Tboil | 386.15 ± 2.00 | K | NIST |
| Tboil | 385.15 ± 2.00 | K | NIST |
| Tboil | 387.15 ± 2.00 | K | NIST |
| Tboil | 383.65 ± 2.00 | K | NIST |
| Tboil | 383.65 ± 2.00 | K | NIST |
| Tboil | 383.65 ± 2.00 | K | NIST |
| Tboil | 384.15 ± 2.00 | K | NIST |
| Tboil | 386.15 ± 2.00 | K | NIST |
| Tboil | 385.65 ± 1.00 | K | NIST |
| Tboil | 385.15 ± 2.00 | K | NIST |
| Tboil | 383.65 ± 2.00 | K | NIST |
| Tboil | 383.65 ± 1.50 | K | NIST |
| Tboil | 385.15 ± 3.00 | K | NIST |
| Tboil | 386.65 ± 2.00 | K | NIST |
| Tboil | Outlier 375.65 ± 2.00 | K | NIST |
| Tboil | 382.15 ± 4.00 | K | NIST |
| Tboil | 385.15 ± 2.00 | K | NIST |
| Tboil | 385.15 ± 1.50 | K | NIST |
| Tboil | 386.65 ± 0.70 | K | NIST |
| Tboil | 386.15 ± 1.00 | K | NIST |
| Tboil | 386.15 ± 2.00 | K | NIST |
| Tboil | 383.65 ± 2.00 | K | NIST |
| Tboil | 385.65 ± 1.00 | K | NIST |
| Tboil | 387.15 ± 3.00 | K | NIST |
| Tboil | 386.15 ± 1.00 | K | NIST |
| Tboil | 386.65 ± 2.00 | K | NIST |
| Tc | 549.00 | K | KDB |
| Tfus | [323.15; 327.00] | K |
|
| Tfus | 327.00 | K | KDB |
| Tfus | 325.32 | K | Aq. Sol... |
| Tfus | 327.00 ± 0.20 | K | NIST |
| Tfus | 325.70 ± 3.00 | K | NIST |
| Tfus | 324.45 ± 0.40 | K | NIST |
| Tfus | 323.15 ± 1.50 | K | NIST |
| Ttriple | 237.50 | K | Solid b... |
| Vc | 0.324 | m3/kmol | KDB |
| Zc | 0.2813560 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.82; 222.10] | J/mol×K | [402.75; 574.65] |
|
| Cp,gas | 171.82 | J/mol×K | 402.75 | Joback Calculated Property |
| Cp,gas | 181.29 | J/mol×K | 431.40 | Joback Calculated Property |
| Cp,gas | 190.31 | J/mol×K | 460.05 | Joback Calculated Property |
| Cp,gas | 198.88 | J/mol×K | 488.70 | Joback Calculated Property |
| Cp,gas | 207.02 | J/mol×K | 517.35 | Joback Calculated Property |
| Cp,gas | 214.76 | J/mol×K | 546.00 | Joback Calculated Property |
| Cp,gas | 222.10 | J/mol×K | 574.65 | Joback Calculated Property |
| η | [0.0003281; 0.1765262] | Pa×s | [209.35; 402.75] |
|
| η | 0.1765262 | Pa×s | 209.35 | Joback Calculated Property |
| η | 0.0307629 | Pa×s | 241.58 | Joback Calculated Property |
| η | 0.0080889 | Pa×s | 273.82 | Joback Calculated Property |
| η | 0.0028181 | Pa×s | 306.05 | Joback Calculated Property |
| η | 0.0012003 | Pa×s | 338.28 | Joback Calculated Property |
| η | 0.0005931 | Pa×s | 370.52 | Joback Calculated Property |
| η | 0.0003281 | Pa×s | 402.75 | Joback Calculated Property |
| ΔfusH | [0.17; 4.46] | kJ/mol | [146.00; 329.80] |
|
| ΔfusH | 1.96 | kJ/mol | 146.00 | NIST |
| ΔfusH | 2.90 | kJ/mol | 190.00 | NIST |
| ΔfusH | 0.17 | kJ/mol | 213.00 | NIST |
| ΔfusH | 4.46 | kJ/mol | 264.00 | NIST |
| ΔfusH | 4.06 | kJ/mol | 325.00 | NIST |
| ΔfusH | 3.50 | kJ/mol | 328.10 | NIST |
| ΔfusH | 3.73 | kJ/mol | 329.80 | NIST |
| ΔfusH | 3.87 | kJ/mol | 329.80 | NIST |
| ΔvapH | 47.50 | kJ/mol | 358.50 | NIST |
| Pvap | [20.26; 98.94] | kPa | [345.90; 384.84] |
|
| Pvap | 20.26 | kPa | 345.90 | Vapor p... |
| Pvap | 24.53 | kPa | 350.00 | Vapor p... |
| Pvap | 29.35 | kPa | 353.97 | Vapor p... |
| Pvap | 34.76 | kPa | 357.84 | Vapor p... |
| Pvap | 40.70 | kPa | 361.57 | Vapor p... |
| Pvap | 47.56 | kPa | 365.36 | Vapor p... |
| Pvap | 60.19 | kPa | 371.31 | Vapor p... |
| Pvap | 74.65 | kPa | 377.00 | Vapor p... |
| Pvap | 93.23 | kPa | 383.15 | Vapor p... |
| Pvap | 98.94 | kPa | 384.84 | Vapor p... |
| ρl | 783.00 | kg/m3 | 327.00 | KDB |
| ΔfusS | [0.79; 16.88] | J/mol×K | [146.00; 264.00] |
|
| ΔfusS | 13.43 | J/mol×K | 146.00 | NIST |
| ΔfusS | 0.79 | J/mol×K | 213.00 | NIST |
| ΔfusS | 16.88 | J/mol×K | 264.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [299.49; 405.81] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49592e+01 | |||
| Coefficient B | -2.99573e+03 | |||
| Coefficient C | -9.53010e+01 | |||
| Temperature range, min. | 299.49 | |||
| Temperature range, max. | 405.81 | |||
| Pvap | 1.33 | kPa | 299.49 | Calculated Property |
| Pvap | 2.97 | kPa | 311.30 | Calculated Property |
| Pvap | 6.11 | kPa | 323.12 | Calculated Property |
| Pvap | 11.68 | kPa | 334.93 | Calculated Property |
| Pvap | 21.01 | kPa | 346.74 | Calculated Property |
| Pvap | 35.86 | kPa | 358.56 | Calculated Property |
| Pvap | 58.46 | kPa | 370.37 | Calculated Property |
| Pvap | 91.54 | kPa | 382.18 | Calculated Property |
| Pvap | 138.35 | kPa | 394.00 | Calculated Property |
| Pvap | 202.63 | kPa | 405.81 | Calculated Property |
| Pvap | [1.26; 3792.12] | kPa | [298.15; 550.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.64736e+02 | |||
| Coefficient B | -1.20851e+04 | |||
| Coefficient C | -2.19703e+01 | |||
| Coefficient D | 1.35835e-05 | |||
| Temperature range, min. | 298.15 | |||
| Temperature range, max. | 550.00 | |||
| Pvap | 1.26 | kPa | 298.15 | Calculated Property |
| Pvap | 7.21 | kPa | 326.13 | Calculated Property |
| Pvap | 28.61 | kPa | 354.12 | Calculated Property |
| Pvap | 86.67 | kPa | 382.10 | Calculated Property |
| Pvap | 214.57 | kPa | 410.08 | Calculated Property |
| Pvap | 456.34 | kPa | 438.07 | Calculated Property |
| Pvap | 865.15 | kPa | 466.05 | Calculated Property |
| Pvap | 1503.48 | kPa | 494.03 | Calculated Property |
| Pvap | 2446.90 | kPa | 522.02 | Calculated Property |
| Pvap | 3792.12 | kPa | 550.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanol, 2,2-dimethyl-.
Mixtures
- 1-Propanol, 2,2-dimethyl- + Propane, 2-chloro-2-methyl-
- 1-Propanol, 2,2-dimethyl- + Carbon Tetrachloride
- 1-Propanol, 2,2-dimethyl- + Water
- 1-Propanol, 2,2-dimethyl- + 2-Butanone, 3,3-dimethyl-
- 1-Propanol, 2,2-dimethyl- + Propane, 2-methoxy-2-methyl-
- 1-Propanol, 2,2-dimethyl- + Propane, 2-methoxy-2-methyl- + 2-Butanone, 3,3-dimethyl-
- Carbon dioxide + 1-Propanol, 2,2-dimethyl-
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Isothermal vapour liquid equilibria in the binary and ternary systems composed of tert-butyl methyl ether, 3,3-dimethyl-2-butanone and 2,2-dimethyl-1-propanol
- Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 1
- Solid binary mixtures of neopentanol with tert-Butyl chloride and carbon tetrachloride studied by thermal, X-ray and dielectric techniques
- Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
- Partial Molar Isentropic Compressions and Partial Molar Volumes of Selected Branched Aliphatic Alcohols at Infinite Dilution in Water at Temperatures from T = (278 to 318) K and Atmospheric Pressure
- Vapor Liquid Equilibria of CO2 + C1 C5 Alcohols from the Experiment and the COSMO-SAC Model
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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