- InChI
- InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
- InChI Key
- PUPZLCDOIYMWBV-UHFFFAOYSA-N
- Formula
- C4H10O2
- SMILES
- CC(O)CCO
- Molecular Weight1
- 90.12
- Other Names
-
- (RS)-1,3-Butanediol
- 1,3-Butandiol
- 1,3-Butanodiol
- 1,3-Butylene glycol
- 1,3-Butylenglykol
- 1,3-Dihydroxybutane
- 1-Methyl-1,3-propanediol
- BD
- Butane-1,3-diol
- Butanediol,1,3-
- Butylene glycol
- Methyltrimethylene glycol
- NSC 402145
- «beta»-Butylene glycol
- 1,3-Butanediol
- 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).
- ρc : Critical density (kg/m3).
- Tboil : Normal Boiling Point Temperature (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° | 72.38 | 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 | 4020.00 ± 250.00 | kPa | NIST |
| ρc | 294.79 ± 11.72 | kg/m3 | NIST |
| Tboil | 475.73 | K | Relay (1.0) Calculated Property |
| Tc | 676.00 ± 2.00 | K | NIST |
| Tfus | 246.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.289 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.03; 263.57] | 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 | 8.15200e+00 | |||
| Coefficient B | 4.57720e-01 | |||
| Coefficient C | -2.57800e-04 | |||
| Coefficient D | 5.55000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 115.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 140.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 162.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 183.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 201.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 217.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 231.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 243.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 254.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 263.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.6060212; 0.0001304] | Pa×s | [241.48; 473.20] |
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 | -1.77448e+01 | |||
| Coefficient B | 4.16408e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 241.48 | |||
| Temperature range, max. | 473.20 | |||
| η | 0.6060212 | Pa×s | 241.48 | Calculated Property |
| η | 0.1150649 | Pa×s | 267.23 | Calculated Property |
| η | 0.0292562 | Pa×s | 292.97 | Calculated Property |
| η | 0.0092806 | Pa×s | 318.72 | Calculated Property |
| η | 0.0034952 | Pa×s | 344.47 | Calculated Property |
| η | 0.0015079 | Pa×s | 370.21 | Calculated Property |
| η | 0.0007257 | Pa×s | 395.96 | Calculated Property |
| η | 0.0003818 | Pa×s | 421.71 | Calculated Property |
| η | 0.0002163 | Pa×s | 447.45 | Calculated Property |
| η | 0.0001304 | Pa×s | 473.20 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-butanediol, DL-.
Sources
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