- InChI
- InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
- InChI Key
- PUPZLCDOIYMWBV-SCSAIBSYSA-N
- Formula
- C4H10O2
- SMILES
- CC(O)CCO
- Molecular Weight1
- 90.12
- CAS
- 24621-61-2
- Other Names
-
- (+)-1,3-Butanediol
- (S)-(+)-1,3-Butanediol
- (S)-(+)-butane-1,3-diol
- D-Butane-1,3-diol
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6814 | Relay (1.0) Calculated Property | |
| ΔfG° | -293.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.250 | Crippen Calculated Property | |
| McVol | 78.960 | ml/mol | McGowan Calculated Property |
| Pc | 5029.93 | kPa | Joback Calculated Property |
| Tboil | 475.73 | K | Relay (1.0) Calculated Property |
| Tc | 654.36 | K | Relay (1.0) Calculated Property |
| Tfus | 244.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.293 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.31; 209.35] | J/mol×K | [474.84; 636.47] | 
|
| Cp,gas | 173.31 | J/mol×K | 474.84 | Joback Calculated Property |
| Cp,gas | 179.93 | J/mol×K | 501.78 | Joback Calculated Property |
| Cp,gas | 186.29 | J/mol×K | 528.72 | Joback Calculated Property |
| Cp,gas | 192.41 | J/mol×K | 555.66 | Joback Calculated Property |
| Cp,gas | 198.29 | J/mol×K | 582.59 | Joback Calculated Property |
| Cp,gas | 203.94 | J/mol×K | 609.53 | Joback Calculated Property |
| Cp,gas | 209.35 | J/mol×K | 636.47 | Joback Calculated Property |
| η | [0.0001265; 0.6060212] | Pa×s | [241.48; 474.84] |
|
| η | 0.6060212 | Pa×s | 241.48 | Joback Calculated Property |
| η | 0.0554139 | Pa×s | 280.37 | Joback Calculated Property |
| η | 0.0090753 | Pa×s | 319.27 | Joback Calculated Property |
| η | 0.0022017 | Pa×s | 358.16 | Joback Calculated Property |
| η | 0.0007050 | Pa×s | 397.05 | Joback Calculated Property |
| η | 0.0002766 | Pa×s | 435.95 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 474.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 382.20 | K | 1.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [331.56; 504.69] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.31657e+01 | |||
| Coefficient B | -3.48576e+03 | |||
| Coefficient C | -6.08840e+01 | |||
| Temperature range, min. | 331.56 | |||
| Temperature range, max. | 504.69 | |||
| Pvap | 1.33 | kPa | 331.56 | Calculated Property |
| Pvap | 3.13 | kPa | 350.80 | Calculated Property |
| Pvap | 6.62 | kPa | 370.03 | Calculated Property |
| Pvap | 12.82 | kPa | 389.27 | Calculated Property |
| Pvap | 23.06 | kPa | 408.51 | Calculated Property |
| Pvap | 39.02 | kPa | 427.74 | Calculated Property |
| Pvap | 62.64 | kPa | 446.98 | Calculated Property |
| Pvap | 96.15 | kPa | 466.22 | Calculated Property |
| Pvap | 141.96 | kPa | 485.45 | Calculated Property |
| Pvap | 202.64 | kPa | 504.69 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Butanediol, (S)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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