- InChI
- InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3-4,6-7H,1-2,5H2
- InChI Key
- SZYLTIUVWARXOO-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- C=CCC(O)C=C
- Molecular Weight1
- 98.14
- CAS
- 924-41-4
- Other Names
-
- 1,5-Hexadiene-3-ol
- hexa-1,5-dien-3-ol
- 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).
- 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° | 36.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -73.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.90 | kJ/mol | Joback Calculated Property |
| log10WS | -1.42 | Crippen Calculated Property | |
| logPoct/wat | 1.109 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3857.88 | kPa | Joback Calculated Property |
| Tboil | 406.70 | K | NIST |
| Tc | 592.91 | K | Joback Calculated Property |
| Tfus | 199.68 | K | Joback Calculated Property |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.91; 222.66] | J/mol×K | [421.78; 592.91] | 
|
| Cp,gas | 176.91 | J/mol×K | 421.78 | Joback Calculated Property |
| Cp,gas | 185.46 | J/mol×K | 450.30 | Joback Calculated Property |
| Cp,gas | 193.63 | J/mol×K | 478.82 | Joback Calculated Property |
| Cp,gas | 201.42 | J/mol×K | 507.34 | Joback Calculated Property |
| Cp,gas | 208.84 | J/mol×K | 535.86 | Joback Calculated Property |
| Cp,gas | 215.92 | J/mol×K | 564.39 | Joback Calculated Property |
| Cp,gas | 222.66 | J/mol×K | 592.91 | Joback Calculated Property |
| η | [0.0002452; 0.1801344] | Pa×s | [199.68; 421.78] |
|
| η | 0.1801344 | Pa×s | 199.68 | Joback Calculated Property |
| η | 0.0253750 | Pa×s | 236.70 | Joback Calculated Property |
| η | 0.0060735 | Pa×s | 273.71 | Joback Calculated Property |
| η | 0.0020437 | Pa×s | 310.73 | Joback Calculated Property |
| η | 0.0008672 | Pa×s | 347.75 | Joback Calculated Property |
| η | 0.0004339 | Pa×s | 384.76 | Joback Calculated Property |
| η | 0.0002452 | Pa×s | 421.78 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 315.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [309.32; 429.64] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59642e+01 | |||
| Coefficient B | -3.99944e+03 | |||
| Coefficient C | -5.41990e+01 | |||
| Temperature range, min. | 309.32 | |||
| Temperature range, max. | 429.64 | |||
| Pvap | 1.33 | kPa | 309.32 | Calculated Property |
| Pvap | 2.91 | kPa | 322.69 | Calculated Property |
| Pvap | 5.90 | kPa | 336.06 | Calculated Property |
| Pvap | 11.22 | kPa | 349.43 | Calculated Property |
| Pvap | 20.17 | kPa | 362.80 | Calculated Property |
| Pvap | 34.55 | kPa | 376.16 | Calculated Property |
| Pvap | 56.68 | kPa | 389.53 | Calculated Property |
| Pvap | 89.55 | kPa | 402.90 | Calculated Property |
| Pvap | 136.76 | kPa | 416.27 | Calculated Property |
| Pvap | 202.67 | kPa | 429.64 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Hexadien-3-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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