- InChI
- InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
- InChI Key
- SXRSQZLOMIGNAQ-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- O=CCCCC=O
- Molecular Weight1
- 100.12
- Other Names
-
- 1,3-Diformylpropane
- 1,5-Pentanedial
- 1,5-Pentanedione
- Aldesan
- Alhydex
- Aqucar
- Cidex
- Cidex 7
- Coldcide-25 microbiocide
- Glutaclean
- Glutaral
- Glutaraldehyd
- Glutaraldehyde
- Glutaralum
- Glutardialdehyde
- Glutarex 28
- Glutaric acid dialdehyde
- Glutaric aldehyde
- Glutaric dialdehyde
- Glutarol
- Gluteraldehyde
- Hospex
- NCI-C55425
- NSC 13392
- Novaruca
- Pentane-1,5-dial
- Potentiated acid glutaraldehyde
- Relugan GT
- Relugan GT 50
- Relugan GTW
- Sonacide
- Sporicidin
- Sterihyde
- Ucarcide
- Ucarcide 250
- Veruca-sep
- component of Cidex
- 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).
- 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).
- 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 | 0.4686 | Relay (1.0) Calculated Property | |
| ΔfG° | -207.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.554 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 4162.33 | kPa | Joback Calculated Property |
| Tboil | 374.20 | K | NIST |
| Tc | 629.81 | K | Relay (1.0) Calculated Property |
| Tfus | [259.65; 267.40] | K |
|
| Tfus | 259.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 267.40 ± 0.60 | K | NIST |
| Vc | 0.313 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [51.40; 56.20] | kJ/mol | [364.50; 381.50] |
|
| ΔvapH | 51.40 | kJ/mol | 364.50 | NIST |
| ΔvapH | 56.20 | kJ/mol | 381.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [121.37; 258.84] | 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 | 2.11430e+01 | |||
| Coefficient B | 4.27800e-01 | |||
| Coefficient C | -2.34200e-04 | |||
| Coefficient D | 4.41000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 121.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 145.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 166.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 185.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 202.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 217.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 230.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 241.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 250.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 258.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020455; 0.0004074] | Pa×s | [263.52; 414.69] |
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 | -1.06187e+01 | |||
| Coefficient B | 1.16650e+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. | 263.52 | |||
| Temperature range, max. | 414.69 | |||
| η | 0.0020455 | Pa×s | 263.52 | Calculated Property |
| η | 0.0015689 | Pa×s | 280.32 | Calculated Property |
| η | 0.0012400 | Pa×s | 297.12 | Calculated Property |
| η | 0.0010051 | Pa×s | 313.91 | Calculated Property |
| η | 0.0008322 | Pa×s | 330.71 | Calculated Property |
| η | 0.0007018 | Pa×s | 347.51 | Calculated Property |
| η | 0.0006012 | Pa×s | 364.30 | Calculated Property |
| η | 0.0005220 | Pa×s | 381.10 | Calculated Property |
| η | 0.0004588 | Pa×s | 397.90 | Calculated Property |
| η | 0.0004074 | Pa×s | 414.69 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanedial.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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