- InChI
- InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
- InChI Key
- IPKKHRVROFYTEK-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
- CCCCCOC(=O)c1ccccc1C(=O)OCCCCC
- Molecular Weight1
- 306.40
- CAS
- 131-18-0
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester
- 1,2-benzenedicarboxylic acid dipentyl ester
- 1,2-benzenedicarboxylic acid, dipentyl ester
- 1,2-benzenedioic acid, dipentyl ester
- NSC 4720
- amoil
- amyl phthalate
- di-n-amyl phthalate
- di-n-pentyl o-phthalate
- di-n-pentyl phthalate
- dipentyl 1,2-butanedioate
- dipentyl benzene-1,2-dicarboxylate
- dipentyl phthalate
- phthalic acid dipentyl ester
- phthalic acid, dipentyl ester
- 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).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- Inp : Non-polar retention indices.
- 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 | 0.9366 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -9875.00 ± 13.00 | kJ/mol | NIST |
| ΔfH°gas | -779.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -924.00 ± 13.00 | kJ/mol | NIST |
| ΔfusH° | 44.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Aq. Solubility Prediction | |
| logPoct/wat | 4.381 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1430.00 | kPa | Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method |
| Inp | [2120.00; 2140.00] |
|
|
| Inp | 2120.00 | NIST | |
| Inp | 2121.00 | NIST | |
| Inp | 2122.00 | NIST | |
| Inp | 2140.00 | NIST | |
| Inp | 2136.00 | NIST | |
| Inp | 2127.00 | NIST | |
| Inp | 2140.00 | NIST | |
| Inp | 2120.00 | NIST | |
| Tboil | 616.38 | K | Relay (1.0) Calculated Property |
| Tc | 817.35 | K | Relay (1.0) Calculated Property |
| Tfus | 252.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.964 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [748.93; 829.26] | J/mol×K | [759.54; 954.63] |
|
| Cp,gas | 748.93 | J/mol×K | 759.54 | Joback Calculated Property |
| Cp,gas | 764.99 | J/mol×K | 792.06 | Joback Calculated Property |
| Cp,gas | 779.96 | J/mol×K | 824.57 | Joback Calculated Property |
| Cp,gas | 793.86 | J/mol×K | 857.09 | Joback Calculated Property |
| Cp,gas | 806.69 | J/mol×K | 889.60 | Joback Calculated Property |
| Cp,gas | 818.49 | J/mol×K | 922.12 | Joback Calculated Property |
| Cp,gas | 829.26 | J/mol×K | 954.63 | Joback Calculated Property |
| η | [0.0000566; 0.0011416] | Pa×s | [416.22; 759.54] |
|
| η | 0.0011416 | Pa×s | 416.22 | Joback Calculated Property |
| η | 0.0005112 | Pa×s | 473.44 | Joback Calculated Property |
| η | 0.0002722 | Pa×s | 530.66 | Joback Calculated Property |
| η | 0.0001639 | Pa×s | 587.88 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 645.10 | Joback Calculated Property |
| η | 0.0000761 | Pa×s | 702.32 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 759.54 | Joback Calculated Property |
| ΔvapH | [87.30; 99.40] | kJ/mol | [356.50; 401.50] |
|
| ΔvapH | 87.30 | kJ/mol | 356.50 | NIST |
| ΔvapH | 99.20 | kJ/mol | 373.00 | NIST |
| ΔvapH | 99.40 | kJ/mol | 401.50 | NIST |
Similar Compounds
Find more compounds similar to Diamyl phthalate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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