- InChI
- InChI=1S/C6H14O2/c1-5(8)6(2,3)4-7/h5,7-8H,4H2,1-3H3
- InChI Key
- QXKKYNIWAYERHT-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- CC(O)C(C)(C)CO
- Molecular Weight1
- 118.17
- CAS
- 76-35-7
- Other Names
-
- 1,3-Butanediol, 2,2-dimethyl-
- 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).
- 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).
- 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° | -273.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.62 | kJ/mol | Joback Calculated Property |
| log10WS | -0.73 | Crippen Calculated Property | |
| logPoct/wat | 0.386 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Tboil | 517.37 | K | Joback Calculated Property |
| Tc | 685.89 | K | Joback Calculated Property |
| Tfus | 266.44 | K | Joback Calculated Property |
| Vc | 0.393 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.90; 307.94] | J/mol×K | [517.37; 685.89] | 
|
| Cp,gas | 258.90 | J/mol×K | 517.37 | Joback Calculated Property |
| Cp,gas | 268.16 | J/mol×K | 545.46 | Joback Calculated Property |
| Cp,gas | 276.95 | J/mol×K | 573.54 | Joback Calculated Property |
| Cp,gas | 285.31 | J/mol×K | 601.63 | Joback Calculated Property |
| Cp,gas | 293.24 | J/mol×K | 629.72 | Joback Calculated Property |
| Cp,gas | 300.78 | J/mol×K | 657.80 | Joback Calculated Property |
| Cp,gas | 307.94 | J/mol×K | 685.89 | Joback Calculated Property |
| η | [0.0000728; 0.3110979] | Pa×s | [266.44; 517.37] |
|
| η | 0.3110979 | Pa×s | 266.44 | Joback Calculated Property |
| η | 0.0300065 | Pa×s | 308.26 | Joback Calculated Property |
| η | 0.0050606 | Pa×s | 350.08 | Joback Calculated Property |
| η | 0.0012479 | Pa×s | 391.90 | Joback Calculated Property |
| η | 0.0004031 | Pa×s | 433.73 | Joback Calculated Property |
| η | 0.0001588 | Pa×s | 475.55 | Joback Calculated Property |
| η | 0.0000728 | Pa×s | 517.37 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [367.44; 526.25] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46146e+01 | |||
| Coefficient B | -4.21339e+03 | |||
| Coefficient C | -7.33530e+01 | |||
| Temperature range, min. | 367.44 | |||
| Temperature range, max. | 526.25 | |||
| Pvap | 1.33 | kPa | 367.44 | Calculated Property |
| Pvap | 3.00 | kPa | 385.09 | Calculated Property |
| Pvap | 6.19 | kPa | 402.73 | Calculated Property |
| Pvap | 11.86 | kPa | 420.38 | Calculated Property |
| Pvap | 21.34 | kPa | 438.02 | Calculated Property |
| Pvap | 36.37 | kPa | 455.67 | Calculated Property |
| Pvap | 59.15 | kPa | 473.31 | Calculated Property |
| Pvap | 92.32 | kPa | 490.96 | Calculated Property |
| Pvap | 138.97 | kPa | 508.60 | Calculated Property |
| Pvap | 202.64 | kPa | 526.25 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethyl-1,3-butanediol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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