- InChI
- InChI=1S/C7H16O2/c1-3-4-7(9)5-6(2)8/h6-9H,3-5H2,1-2H3
- InChI Key
- XVEOUOTUJBYHNL-UHFFFAOYSA-N
- Formula
- C7H16O2
- SMILES
- CCCC(O)CC(C)O
- Molecular Weight1
- 132.20
- CAS
- 20748-86-1
- 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° | -270.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -502.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.76 | kJ/mol | Joback Calculated Property |
| log10WS | -1.50 | Crippen Calculated Property | |
| logPoct/wat | 0.918 | Crippen Calculated Property | |
| McVol | 121.230 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Inp | 1051.00 | NIST | |
| Tboil | 543.04 | K | Joback Calculated Property |
| Tc | 705.35 | K | Joback Calculated Property |
| Tfus | 260.29 | K | Joback Calculated Property |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.72; 352.58] | J/mol×K | [543.04; 705.35] | 
|
| Cp,gas | 299.72 | J/mol×K | 543.04 | Joback Calculated Property |
| Cp,gas | 309.47 | J/mol×K | 570.09 | Joback Calculated Property |
| Cp,gas | 318.84 | J/mol×K | 597.14 | Joback Calculated Property |
| Cp,gas | 327.82 | J/mol×K | 624.19 | Joback Calculated Property |
| Cp,gas | 336.43 | J/mol×K | 651.24 | Joback Calculated Property |
| Cp,gas | 344.68 | J/mol×K | 678.30 | Joback Calculated Property |
| Cp,gas | 352.58 | J/mol×K | 705.35 | Joback Calculated Property |
| η | [0.0000536; 0.4213623] | Pa×s | [260.29; 543.04] |
|
| η | 0.4213623 | Pa×s | 260.29 | Joback Calculated Property |
| η | 0.0300384 | Pa×s | 307.42 | Joback Calculated Property |
| η | 0.0043212 | Pa×s | 354.54 | Joback Calculated Property |
| η | 0.0009798 | Pa×s | 401.66 | Joback Calculated Property |
| η | 0.0003034 | Pa×s | 448.79 | Joback Calculated Property |
| η | 0.0001174 | Pa×s | 495.91 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 543.04 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 380.70 | K | 1.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [393.57; 532.40] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.65701e+01 | |||
| Coefficient B | -5.06608e+03 | |||
| Coefficient C | -8.24320e+01 | |||
| Temperature range, min. | 393.57 | |||
| Temperature range, max. | 532.40 | |||
| Pvap | 1.33 | kPa | 393.57 | Calculated Property |
| Pvap | 2.88 | kPa | 409.00 | Calculated Property |
| Pvap | 5.79 | kPa | 424.42 | Calculated Property |
| Pvap | 10.98 | kPa | 439.85 | Calculated Property |
| Pvap | 19.73 | kPa | 455.27 | Calculated Property |
| Pvap | 33.86 | kPa | 470.70 | Calculated Property |
| Pvap | 55.74 | kPa | 486.12 | Calculated Property |
| Pvap | 88.47 | kPa | 501.55 | Calculated Property |
| Pvap | 135.87 | kPa | 516.97 | Calculated Property |
| Pvap | 202.63 | kPa | 532.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Heptanediol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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