- InChI
- InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
- InChI Key
- ORTVZLZNOYNASJ-UPHRSURJSA-N
- Formula
- C4H8O2
- SMILES
- OCC=CCO
- Molecular Weight1
- 88.11
- CAS
- 6117-80-2
- Other Names
-
- (Z)-2-Butene-1,4-diol
- cis-1,4-Dihydroxy-2-butene
- cis-2-Butene-1,4-Diol
- cis-Butenediol
- ω : Acentric Factor.
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6411 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.473 | Crippen Calculated Property | |
| McVol | 74.660 | ml/mol | McGowan Calculated Property |
| Pc | 5359.18 | kPa | Joback Calculated Property |
| Tboil | 508.20 | K | NIST |
| Tc | 692.96 | K | Relay (1.0) Calculated Property |
| Tfus | 284.20 ± 0.50 | K | NIST |
| Vc | 0.254 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 74.70 | kJ/mol | 440.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 405.20 | K | 2.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [101.34; 232.45] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.34800e+00 | |||
| Coefficient B | 4.71800e-01 | |||
| Coefficient C | -3.38400e-04 | |||
| Coefficient D | 1.03400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 101.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 124.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 145.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 163.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 178.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 192.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 203.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 214.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 223.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 232.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0374705; 0.0001779] | Pa×s | [284.20; 451.56] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.77195e+01 | |||
| Coefficient B | 4.10250e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 284.20 | |||
| Temperature range, max. | 451.56 | |||
| η | 0.0374705 | Pa×s | 284.20 | Calculated Property |
| η | 0.0154412 | Pa×s | 302.80 | Calculated Property |
| η | 0.0070506 | Pa×s | 321.39 | Calculated Property |
| η | 0.0035076 | Pa×s | 339.99 | Calculated Property |
| η | 0.0018761 | Pa×s | 358.58 | Calculated Property |
| η | 0.0010673 | Pa×s | 377.18 | Calculated Property |
| η | 0.0006402 | Pa×s | 395.77 | Calculated Property |
| η | 0.0004021 | Pa×s | 414.37 | Calculated Property |
| η | 0.0002628 | Pa×s | 432.97 | Calculated Property |
| η | 0.0001779 | Pa×s | 451.56 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [397.27; 531.78] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.06264e+01 | |||
| Coefficient B | -8.33944e+03 | |||
| Coefficient C | 1.27540e+01 | |||
| Temperature range, min. | 397.27 | |||
| Temperature range, max. | 531.78 | |||
| Pvap | 1.33 | kPa | 397.27 | Calculated Property |
| Pvap | 2.73 | kPa | 412.22 | Calculated Property |
| Pvap | 5.31 | kPa | 427.16 | Calculated Property |
| Pvap | 9.90 | kPa | 442.11 | Calculated Property |
| Pvap | 17.74 | kPa | 457.05 | Calculated Property |
| Pvap | 30.66 | kPa | 472.00 | Calculated Property |
| Pvap | 51.28 | kPa | 486.94 | Calculated Property |
| Pvap | 83.27 | kPa | 501.89 | Calculated Property |
| Pvap | 131.54 | kPa | 516.83 | Calculated Property |
| Pvap | 202.66 | kPa | 531.78 | Calculated Property |
| Pvap | [1.75e-04; 5223.99] | kPa | [284.15; 677.88] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.11722e+02 | |||
| Coefficient B | -1.71176e+04 | |||
| Coefficient C | -2.86125e+01 | |||
| Coefficient D | 1.87469e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 284.15 | |||
| Temperature range, max. | 677.88 | |||
| Pvap | 1.75e-04 | kPa | 284.15 | Calculated Property |
| Pvap | 0.01 | kPa | 327.90 | Calculated Property |
| Pvap | 0.34 | kPa | 371.65 | Calculated Property |
| Pvap | 3.45 | kPa | 415.39 | Calculated Property |
| Pvap | 20.41 | kPa | 459.14 | Calculated Property |
| Pvap | 85.14 | kPa | 502.89 | Calculated Property |
| Pvap | 282.17 | kPa | 546.64 | Calculated Property |
| Pvap | 806.38 | kPa | 590.38 | Calculated Property |
| Pvap | 2104.31 | kPa | 634.13 | Calculated Property |
| Pvap | 5223.99 | kPa | 677.88 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene-1,4-diol, (Z)-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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