- InChI
- InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1
- InChI Key
- DNIAPMSPPWPWGF-VKHMYHEASA-N
- Formula
- C3H8O2
- SMILES
- C[C@@H](O)CO
- Molecular Weight1
- 76.09
- CAS
- 4254-15-3
- Other Names
-
- (+)-(S)-1,2-propanediol
- (+)-1,2-propanediol
- (S)-1,2-propanediol
- (S)-Propylene glycol
- 1,2-(S)-propanediol
- 1,2-Propanediol, (S)-
- 1,2-propanediol, (S)-(+)-
- 3-deoxy-sn-glycerol
- L(+)-propanediol
- L-(+)-1,2-propanediol
- L-(+)-propylene glycol
- L-1,2-propanediol
- S(+)-propane-1,2-diol
- S-(+)-Propylene glycol
- d-propylene glycol
- propylene glycol, (S)-(+)-
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.6517 | Relay (1.0) Calculated Property | |
| ΔfG° | -301.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -445.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.20 ± 0.30 | kJ/mol | NIST |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.640 | Crippen Calculated Property | |
| McVol | 64.870 | ml/mol | McGowan Calculated Property |
| Pc | 5791.74 | kPa | Joback Calculated Property |
| Tboil | 458.12 | K | Relay (1.0) Calculated Property |
| Tc | 641.58 | K | Relay (1.0) Calculated Property |
| Tfus | 256.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.254 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 460.20 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [355.11; 484.64] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64056e+01 | |||
| Coefficient B | -4.61036e+03 | |||
| Coefficient C | -6.90720e+01 | |||
| Temperature range, min. | 355.11 | |||
| Temperature range, max. | 484.64 | |||
| Pvap | 1.33 | kPa | 355.11 | Calculated Property |
| Pvap | 2.89 | kPa | 369.50 | Calculated Property |
| Pvap | 5.82 | kPa | 383.89 | Calculated Property |
| Pvap | 11.04 | kPa | 398.29 | Calculated Property |
| Pvap | 19.85 | kPa | 412.68 | Calculated Property |
| Pvap | 34.04 | kPa | 427.07 | Calculated Property |
| Pvap | 55.99 | kPa | 441.46 | Calculated Property |
| Pvap | 88.76 | kPa | 455.86 | Calculated Property |
| Pvap | 136.12 | kPa | 470.25 | Calculated Property |
| Pvap | 202.66 | kPa | 484.64 | Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(+)-1,2-Propanediol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- 1,2-Propanediol. Comprehensive experimental and theoretical study
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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