- InChI
- InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
- InChI Key
- ALQSHHUCVQOPAS-UHFFFAOYSA-N
- Formula
- C5H12O2
- SMILES
- OCCCCCO
- Molecular Weight1
- 104.15
- CAS
- 111-29-5
- Other Names
-
- 1,5-DIHYDROXYPENTANE
- 1,5-PENTYLENE GLYCOL
- 1,5-Pentamethylene glycol
- 1,5-Pentandiol
- NSC 5927
- PENTAMETHYLENE GLYCOL
- Pentane diol-1,5
- Pentane-1,5-diol
- Pentylene glycol
- pentamethyleneglycol
- «alpha»,«omega»-Pentanediol
- «alpha»,«omega»-Pentanediol
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.7533 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-3156.00; -3151.10] | kJ/mol |
|
| ΔcH°liquid | -3153.70 ± 5.70 | kJ/mol | NIST |
| ΔcH°liquid | -3151.10 ± 2.80 | kJ/mol | NIST |
| ΔcH°liquid | -3156.00 | kJ/mol | NIST |
| ΔfG° | -282.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-449.00; -442.00] | kJ/mol |
|
| ΔfH°gas | -442.00 ± 5.70 | kJ/mol | NIST |
| ΔfH°gas | -449.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°gas | -444.50 | kJ/mol | NIST |
| ΔfH°liquid | [-531.00; -526.51] | kJ/mol |
|
| ΔfH°liquid | -528.80 ± 5.70 | kJ/mol | NIST |
| ΔfH°liquid | -531.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -526.51 | kJ/mol | NIST |
| ΔfusH° | 16.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [82.00; 86.80] | kJ/mol |
|
| ΔvapH° | 86.80 | kJ/mol | NIST |
| ΔvapH° | 86.80 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 86.80 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 82.00 | kJ/mol | NIST |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.141 | Crippen Calculated Property | |
| McVol | 93.050 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 1 | KDB | |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Inp | [993.00; 1029.00] |
|
|
| Inp | 993.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1016.00 | NIST | |
| S°liquid | 321.30 | J/mol×K | NIST |
| Tboil | 505.68 | K | Relay (1.0) Calculated Property |
| Tc | 731.00 | K | Critical temperatures and pressures of straight-chain alkanediols (C3 to C12) |
| Tfus | [257.55; 378.00] | K |
|
| Tfus | 378.00 ± 2.00 | K | NIST |
| Tfus | 257.55 | K | NIST |
| Tfus | 257.55 ± 0.60 | K | NIST |
| Ttriple | [248.00; 254.40] | K |
|
| Ttriple | 254.40 ± 0.10 | K | NIST |
| Ttriple | 248.00 ± 0.20 | K | NIST |
| Ttriple | 248.00 ± 0.40 | K | NIST |
| Vc | 0.343 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [396.72; 538.82] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63841e+01 | |||
| Coefficient B | -5.04129e+03 | |||
| Coefficient C | -8.35280e+01 | |||
| Temperature range, min. | 396.72 | |||
| Temperature range, max. | 538.82 | |||
| Pvap | 1.33 | kPa | 396.72 | Calculated Property |
| Pvap | 2.89 | kPa | 412.51 | Calculated Property |
| Pvap | 5.82 | kPa | 428.30 | Calculated Property |
| Pvap | 11.05 | kPa | 444.09 | Calculated Property |
| Pvap | 19.86 | kPa | 459.88 | Calculated Property |
| Pvap | 34.06 | kPa | 475.66 | Calculated Property |
| Pvap | 56.02 | kPa | 491.45 | Calculated Property |
| Pvap | 88.78 | kPa | 507.24 | Calculated Property |
| Pvap | 136.13 | kPa | 523.03 | Calculated Property |
| Pvap | 202.64 | kPa | 538.82 | Calculated Property |
| Pvap | [3.49e-06; 4414.51] | kPa | [257.15; 673.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.31429e+01 | |||
| Coefficient B | -1.16599e+04 | |||
| Coefficient C | -9.12856e+00 | |||
| Coefficient D | 4.45506e-06 | |||
| Temperature range, min. | 257.15 | |||
| Temperature range, max. | 673.00 | |||
| Pvap | 3.49e-06 | kPa | 257.15 | Calculated Property |
| Pvap | 8.65e-04 | kPa | 303.36 | Calculated Property |
| Pvap | 0.04 | kPa | 349.56 | Calculated Property |
| Pvap | 0.80 | kPa | 395.77 | Calculated Property |
| Pvap | 7.59 | kPa | 441.97 | Calculated Property |
| Pvap | 45.07 | kPa | 488.18 | Calculated Property |
| Pvap | 192.15 | kPa | 534.38 | Calculated Property |
| Pvap | 643.71 | kPa | 580.59 | Calculated Property |
| Pvap | 1803.00 | kPa | 626.79 | Calculated Property |
| Pvap | 4414.51 | kPa | 673.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Pentanediol.
Mixtures
- Formamide, N,N-dimethyl- + 1,5-Pentanediol
- 2-Pyrrolidinone + 1,5-Pentanediol
- 1,5-Pentanediol + Water
- Choline chloride + 1,5-Pentanediol
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Liquid phase behavior of hexafluorophosphate ionic liquids with polyhydric alcohols
- Critical temperatures and pressures of straight-chain alkanediols (C3 to C12)
- Thermodynamics of phase transfer for polar molecules from alkanes to deep eutectic solvents
- Structural and interactional studies of homologous series of a,x-alkanediols in N,N-dimethylformamide
- Molecular interactions of a,x-alkanediols in pyrrolidin-2-one: Thermophysical and spectroscopic measurements
- Thermodynamics and activity coefficients at infinite dilution for organic solutes, water and diols in the ionic liquid choline bis(trifluoromethylsulfonyl)imide
- Speed of sound and density of water + 1,5-pentanediol mixtures in a wide temperature range. Comparison with mixtures of water with diethylene glycol, propoxyethanol and diethylene glycol dimethyl ether
- Liquid-Liquid Equilibria in Binary Mixtures of Dihydroxy Alcohols and Imidazolium-Based Ionic Liquids
- Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography
- Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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