- InChI
- InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3
- InChI Key
- GTCCGKPBSJZVRZ-UHFFFAOYSA-N
- Formula
- C5H12O2
- SMILES
- CC(O)CC(C)O
- Molecular Weight1
- 104.15
- CAS
- 625-69-4
- Other Names
-
- (2R,4R)-2,4-pentanediol
- (R,R)-2,4-pentanediol
- 2,4-Amylene glycol
- 2,4-Pentanediol (dl+meso)
- Isoamylene alcohol
- Pentane-2,4-diol
- Pentanediol-2,4
- [R-(R*,R*)]-2,4-pentanediol
- dl-2,4-Pentanediol
- 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).
- Inp : Non-polar retention indices.
- 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° | -287.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.50 ± 0.30 | kJ/mol | NIST |
| log10WS | -0.67 | Crippen Calculated Property | |
| logPoct/wat | 0.138 | Crippen Calculated Property | |
| McVol | 93.050 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback Calculated Property |
| Inp | [857.00; 860.00] |
|
|
| Inp | 857.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 860.00 | NIST | |
| Tboil | [458.15; 474.70] | K |
|
| Tboil | 474.70 | K | NIST |
| Tboil | 472.15 ± 3.00 | K | NIST |
| Tboil | 474.25 ± 3.00 | K | NIST |
| Tboil | 470.65 ± 3.00 | K | NIST |
| Tboil | Outlier 458.15 ± 3.00 | K | NIST |
| Tboil | 474.15 ± 3.00 | K | NIST |
| Tc | 661.20 | K | Joback Calculated Property |
| Tfus | 318.15 ± 1.00 | K | NIST |
| Vc | 0.342 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.59; 256.38] | J/mol×K | [497.28; 661.20] |
|
| Cp,gas | 213.59 | J/mol×K | 497.28 | Joback Calculated Property |
| Cp,gas | 221.48 | J/mol×K | 524.60 | Joback Calculated Property |
| Cp,gas | 229.06 | J/mol×K | 551.92 | Joback Calculated Property |
| Cp,gas | 236.33 | J/mol×K | 579.24 | Joback Calculated Property |
| Cp,gas | 243.30 | J/mol×K | 606.56 | Joback Calculated Property |
| Cp,gas | 249.98 | J/mol×K | 633.88 | Joback Calculated Property |
| Cp,gas | 256.38 | J/mol×K | 661.20 | Joback Calculated Property |
| η | [0.0000920; 1.1462269] | Pa×s | [237.75; 497.28] |
|
| η | 1.1462269 | Pa×s | 237.75 | Joback Calculated Property |
| η | 0.0710068 | Pa×s | 281.00 | Joback Calculated Property |
| η | 0.0092386 | Pa×s | 324.26 | Joback Calculated Property |
| η | 0.0019427 | Pa×s | 367.51 | Joback Calculated Property |
| η | 0.0005673 | Pa×s | 410.77 | Joback Calculated Property |
| η | 0.0002095 | Pa×s | 454.02 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 497.28 | Joback Calculated Property |
| Pvap | [4.80e-03; 0.29] | kPa | [297.20; 347.30] |
|
| Pvap | 4.80e-03 | kPa | 297.20 | Vapor P... |
| Pvap | 6.45e-03 | kPa | 300.20 | Vapor P... |
| Pvap | 8.50e-03 | kPa | 303.20 | Vapor P... |
| Pvap | 0.01 | kPa | 306.20 | Vapor P... |
| Pvap | 0.01 | kPa | 309.20 | Vapor P... |
| Pvap | 0.02 | kPa | 312.20 | Vapor P... |
| Pvap | 0.02 | kPa | 315.30 | Vapor P... |
| Pvap | 0.03 | kPa | 318.40 | Vapor P... |
| Pvap | 0.04 | kPa | 321.40 | Vapor P... |
| Pvap | 0.06 | kPa | 324.40 | Vapor P... |
| Pvap | 0.07 | kPa | 327.50 | Vapor P... |
| Pvap | 0.09 | kPa | 330.50 | Vapor P... |
| Pvap | 0.11 | kPa | 333.40 | Vapor P... |
| Pvap | 0.14 | kPa | 336.50 | Vapor P... |
| Pvap | 0.16 | kPa | 339.20 | Vapor P... |
| Pvap | 0.24 | kPa | 344.40 | Vapor P... |
| Pvap | 0.29 | kPa | 347.30 | Vapor P... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 382.00 ± 1.00 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [363.80; 495.93] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64031e+01 | |||
| Coefficient B | -4.70108e+03 | |||
| Coefficient C | -7.20880e+01 | |||
| Temperature range, min. | 363.80 | |||
| Temperature range, max. | 495.93 | |||
| Pvap | 1.33 | kPa | 363.80 | Calculated Property |
| Pvap | 2.89 | kPa | 378.48 | Calculated Property |
| Pvap | 5.82 | kPa | 393.16 | Calculated Property |
| Pvap | 11.04 | kPa | 407.84 | Calculated Property |
| Pvap | 19.85 | kPa | 422.52 | Calculated Property |
| Pvap | 34.04 | kPa | 437.21 | Calculated Property |
| Pvap | 55.99 | kPa | 451.89 | Calculated Property |
| Pvap | 88.76 | kPa | 466.57 | Calculated Property |
| Pvap | 136.12 | kPa | 481.25 | Calculated Property |
| Pvap | 202.65 | kPa | 495.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Pentanediol.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Enthalpic Pairwise Interactions of Isomers of 2,4-pentanediol and 2,5-hexanediol in Dimethylsulfoxide + Water Mixtures at 298.15 K
- Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.