- InChI
- InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m0/s1
- InChI Key
- GTCCGKPBSJZVRZ-WHFBIAKZSA-N
- Formula
- C5H12O2
- SMILES
- CC(O)CC(C)O
- Molecular Weight1
- 104.15
- CAS
- 42075-32-1
- Other Names
-
- (2S,4S)-pentane-2,4-diol
- (S,S)-2,4-pentanediol
- [S-(R*,R*)]-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).
- 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° | 59.31 | kJ/mol | Joback Calculated Property |
| 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 |
| Tboil | 497.28 | K | Joback Calculated Property |
| Tc | 661.20 | K | Joback Calculated Property |
| Tfus | 237.75 | K | Joback Calculated Property |
| 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 385.20 | K | 2.50 | NIST |
Similar Compounds
Find more compounds similar to (2R,4R)-(-)-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
- Joback Method
- McGowan Method
- NIST Webbook
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