- InChI
- InChI=1S/C7H12O4/c1-2-3-4-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
- InChI Key
- MCRZWYDXIGCFKO-UHFFFAOYSA-N
- Formula
- C7H12O4
- SMILES
- CCCCC(C(=O)O)C(=O)O
- Molecular Weight1
- 160.17
- CAS
- 534-59-8
- Other Names
-
- 1,1-Pentanedicarboxylic acid
- 2-Butylmalonate
- 2-Butylmalonic acid
- 2-n-Butylmalonic acid
- Butylmalonate
- Malonic acid, butyl-
- Propanedioic acid, butyl-
- n-Butylmalonic acid
- «alpha»-Carboxycaproic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔsubH° : Enthalpy of sublimation 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).
- 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 | 0.8064 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3475.70 | kJ/mol | NIST |
| ΔfG° | -682.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -873.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.65 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 124.60 ± 2.30 | kJ/mol | NIST |
| ΔvapH° | 61.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.962 | Crippen Calculated Property | |
| McVol | 124.370 | ml/mol | McGowan Calculated Property |
| Pc | 3443.98 | kPa | Joback Calculated Property |
| Tboil | 507.42 | K | Relay (1.0) Calculated Property |
| Tc | 725.55 | K | Relay (1.0) Calculated Property |
| Tfus | 355.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.26; 378.10] | J/mol×K | [650.34; 855.05] | 
|
| Cp,gas | 330.26 | J/mol×K | 650.34 | Joback Calculated Property |
| Cp,gas | 339.55 | J/mol×K | 684.46 | Joback Calculated Property |
| Cp,gas | 348.27 | J/mol×K | 718.58 | Joback Calculated Property |
| Cp,gas | 356.45 | J/mol×K | 752.69 | Joback Calculated Property |
| Cp,gas | 364.13 | J/mol×K | 786.81 | Joback Calculated Property |
| Cp,gas | 371.34 | J/mol×K | 820.93 | Joback Calculated Property |
| Cp,gas | 378.10 | J/mol×K | 855.05 | Joback Calculated Property |
| η | [0.0002041; 0.0008669] | Pa×s | [474.85; 650.34] |
|
| η | 0.0008669 | Pa×s | 474.85 | Joback Calculated Property |
| η | 0.0006352 | Pa×s | 504.10 | Joback Calculated Property |
| η | 0.0004815 | Pa×s | 533.35 | Joback Calculated Property |
| η | 0.0003757 | Pa×s | 562.59 | Joback Calculated Property |
| η | 0.0003005 | Pa×s | 591.84 | Joback Calculated Property |
| η | 0.0002454 | Pa×s | 621.09 | Joback Calculated Property |
| η | 0.0002041 | Pa×s | 650.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butylmalonic acid.
Sources
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