- InChI
- InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3
- InChI Key
- DSKYSDCYIODJPC-UHFFFAOYSA-N
- Formula
- C9H20O2
- SMILES
- CCCCC(CC)(CO)CO
- Molecular Weight1
- 160.25
- CAS
- 115-84-4
- Other Names
-
- 2-Butyl-2-ethyl-1,3-propanediol
- 2-Butyl-2-ethylpropanediol
- 2-Ethyl-2-Butylpropanediol-1,3
- 2-Ethyl-2-butyl-1,3-propandeiol
- 2-Ethyl-2-butyl-1,3-propanediol
- 2-n-Butyl-2-ethyl-1,3-propanediol
- 3,3-Bis(hydroxymethyl)heptane
- BEP
- NSC 406603
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -245.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.69 | kJ/mol | Joback Calculated Property |
| log10WS | -1.88 | Crippen Calculated Property | |
| logPoct/wat | 1.558 | Crippen Calculated Property | |
| McVol | 149.410 | ml/mol | McGowan Calculated Property |
| Pc | 2832.35 | kPa | Joback Calculated Property |
| Tboil | 586.45 | K | Joback Calculated Property |
| Tc | 749.73 | K | Joback Calculated Property |
| Tfus | [312.20; 314.80] | K |
|
| Tfus | 314.25 ± 1.00 | K | NIST |
| Tfus | 312.20 ± 2.00 | K | NIST |
| Tfus | 314.80 ± 0.50 | K | NIST |
| Vc | 0.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.74; 456.42] | J/mol×K | [586.45; 749.73] |
|
| Cp,gas | 395.74 | J/mol×K | 586.45 | Joback Calculated Property |
| Cp,gas | 407.08 | J/mol×K | 613.66 | Joback Calculated Property |
| Cp,gas | 417.91 | J/mol×K | 640.88 | Joback Calculated Property |
| Cp,gas | 428.23 | J/mol×K | 668.09 | Joback Calculated Property |
| Cp,gas | 438.07 | J/mol×K | 695.31 | Joback Calculated Property |
| Cp,gas | 447.46 | J/mol×K | 722.52 | Joback Calculated Property |
| Cp,gas | 456.42 | J/mol×K | 749.73 | Joback Calculated Property |
| η | [0.0000331; 0.0399974] | Pa×s | [315.25; 586.45] |
|
| η | 0.0399974 | Pa×s | 315.25 | Joback Calculated Property |
| η | 0.0058389 | Pa×s | 360.45 | Joback Calculated Property |
| η | 0.0013088 | Pa×s | 405.65 | Joback Calculated Property |
| η | 0.0003959 | Pa×s | 450.85 | Joback Calculated Property |
| η | 0.0001489 | Pa×s | 496.05 | Joback Calculated Property |
| η | 0.0000660 | Pa×s | 541.25 | Joback Calculated Property |
| η | 0.0000331 | Pa×s | 586.45 | Joback Calculated Property |
| ΔfusH | 20.80 | kJ/mol | 317.30 | NIST |
| ΔvapH | [61.40; 74.30] | kJ/mol | [473.50; 473.50] |
|
| ΔvapH | 74.30 ± 0.30 | kJ/mol | 473.50 | NIST |
| ΔvapH | 67.20 ± 0.30 | kJ/mol | 473.50 | NIST |
| ΔvapH | 61.40 ± 0.60 | kJ/mol | 473.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 451.20 | K | 6.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [415.12; 552.33] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.72189e+01 | |||
| Coefficient B | -5.50601e+03 | |||
| Coefficient C | -8.99220e+01 | |||
| Temperature range, min. | 415.12 | |||
| Temperature range, max. | 552.33 | |||
| Pvap | 1.33 | kPa | 415.12 | Calculated Property |
| Pvap | 2.85 | kPa | 430.37 | Calculated Property |
| Pvap | 5.69 | kPa | 445.61 | Calculated Property |
| Pvap | 10.75 | kPa | 460.86 | Calculated Property |
| Pvap | 19.32 | kPa | 476.10 | Calculated Property |
| Pvap | 33.21 | kPa | 491.35 | Calculated Property |
| Pvap | 54.85 | kPa | 506.59 | Calculated Property |
| Pvap | 87.44 | kPa | 521.84 | Calculated Property |
| Pvap | 135.05 | kPa | 537.08 | Calculated Property |
| Pvap | 202.67 | kPa | 552.33 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, 2-butyl-2-ethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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