- InChI
- InChI=1S/C7H14O2/c1-6(8)9-5-7(2,3)4/h5H2,1-4H3
- InChI Key
- QLNYTCSELYEEPV-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CC(=O)OCC(C)(C)C
- Molecular Weight1
- 130.18
- CAS
- 926-41-0
- Other Names
-
- 2,2-Dimethyl-1-propanol acetate
- 2,2-Dimethylpropyl acetate
- 2,2-Dimethylpropyl ethanoate
- Acetic acid, neopentyl ester
- Neopentyl acetate
- Neopentyl alcohol, acetate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔfG° | -223.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.04 | kJ/mol | Joback Calculated Property |
| log10WS | -1.37 | Crippen Calculated Property | |
| logPoct/wat | 1.596 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 3002.44 | kPa | Joback Calculated Property |
| Inp | [810.90; 816.00] |
|
|
| Inp | 816.00 | NIST | |
| Inp | 810.90 | NIST | |
| Inp | 816.00 | NIST | |
| Tboil | 432.62 | K | Joback Calculated Property |
| Tc | 620.42 | K | Joback Calculated Property |
| Tfus | 243.23 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.05; 306.89] | J/mol×K | [432.62; 620.42] |
|
| Cp,gas | 241.05 | J/mol×K | 432.62 | Joback Calculated Property |
| Cp,gas | 253.38 | J/mol×K | 463.92 | Joback Calculated Property |
| Cp,gas | 265.15 | J/mol×K | 495.22 | Joback Calculated Property |
| Cp,gas | 276.37 | J/mol×K | 526.52 | Joback Calculated Property |
| Cp,gas | 287.06 | J/mol×K | 557.82 | Joback Calculated Property |
| Cp,gas | 297.22 | J/mol×K | 589.12 | Joback Calculated Property |
| Cp,gas | 306.89 | J/mol×K | 620.42 | Joback Calculated Property |
| η | [0.0002778; 0.0047587] | Pa×s | [243.23; 432.62] |
|
| η | 0.0047587 | Pa×s | 243.23 | Joback Calculated Property |
| η | 0.0022582 | Pa×s | 274.80 | Joback Calculated Property |
| η | 0.0012495 | Pa×s | 306.36 | Joback Calculated Property |
| η | 0.0007722 | Pa×s | 337.93 | Joback Calculated Property |
| η | 0.0005181 | Pa×s | 369.49 | Joback Calculated Property |
| η | 0.0003702 | Pa×s | 401.06 | Joback Calculated Property |
| η | 0.0002778 | Pa×s | 432.62 | Joback Calculated Property |
| ΔvapH | 49.10 | kJ/mol | 350.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [300.02; 442.83] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40131e+01 | |||
| Coefficient B | -3.39501e+03 | |||
| Coefficient C | -5.26700e+01 | |||
| Temperature range, min. | 300.02 | |||
| Temperature range, max. | 442.83 | |||
| Pvap | 1.33 | kPa | 300.02 | Calculated Property |
| Pvap | 3.05 | kPa | 315.89 | Calculated Property |
| Pvap | 6.35 | kPa | 331.76 | Calculated Property |
| Pvap | 12.22 | kPa | 347.62 | Calculated Property |
| Pvap | 21.99 | kPa | 363.49 | Calculated Property |
| Pvap | 37.37 | kPa | 379.36 | Calculated Property |
| Pvap | 60.48 | kPa | 395.23 | Calculated Property |
| Pvap | 93.79 | kPa | 411.09 | Calculated Property |
| Pvap | 140.14 | kPa | 426.96 | Calculated Property |
| Pvap | 202.66 | kPa | 442.83 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanol, 2,2-dimethyl-, acetate.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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