- InChI
- InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
- InChI Key
- VZHUBBUZNIULNM-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CCCC(=O)OC1CCCCC1
- Molecular Weight1
- 170.25
- CAS
- 1551-44-6
- Other Names
-
- Butyric acid, cyclohexyl ester
- Cyclohexanol butanoate
- Cyclohexanyl butyrate
- Cyclohexyl butyrate
- Cyclohexyl n-butyrate
- cyclohexyl butanoate
- n-Butyric acid cyclohexyl ester
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid 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).
- ΔfH°liquid : Liquid 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.
- I : Polar retention indices.
- 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 | 0.4907 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -5912.40 ± 2.70 | kJ/mol | NIST |
| ΔfG° | -176.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.70 ± 2.80 | kJ/mol | NIST |
| ΔfH°liquid | -605.70 ± 2.70 | kJ/mol | NIST |
| ΔfusH° | 16.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [58.40; 64.10] | kJ/mol |
|
| ΔvapH° | 60.00 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 60.10 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | Outlier 64.10 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 59.80 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 58.40 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 60.00 | kJ/mol | NIST |
| ΔvapH° | 60.04 ± 0.63 | kJ/mol | NIST |
| ΔvapH° | 60.00 | kJ/mol | NIST |
| ΔvapH° | 60.00 ± 0.60 | kJ/mol | NIST |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.662 | Crippen Calculated Property | |
| McVol | 148.340 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Inp | [1202.00; 1209.00] |
|
|
| Inp | 1202.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1209.00 | NIST | |
| I | 1492.00 | NIST | |
| Tboil | 478.02 | K | Relay (1.0) Calculated Property |
| Tc | 692.96 | K | Relay (1.0) Calculated Property |
| Tfus | 213.34 | K | Relay (1.0) Calculated Property |
| Ttriple | 219.60 ± 0.15 | K | NIST |
| Vc | 0.544 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.31; 449.24] | J/mol×K | [524.04; 729.39] |
|
| Cp,gas | 355.31 | J/mol×K | 524.04 | Joback Calculated Property |
| Cp,gas | 373.16 | J/mol×K | 558.27 | Joback Calculated Property |
| Cp,gas | 390.11 | J/mol×K | 592.49 | Joback Calculated Property |
| Cp,gas | 406.18 | J/mol×K | 626.72 | Joback Calculated Property |
| Cp,gas | 421.39 | J/mol×K | 660.94 | Joback Calculated Property |
| Cp,gas | 435.73 | J/mol×K | 695.17 | Joback Calculated Property |
| Cp,gas | 449.24 | J/mol×K | 729.39 | Joback Calculated Property |
| η | [0.0002418; 0.0042103] | Pa×s | [282.00; 524.04] |
|
| η | 0.0042103 | Pa×s | 282.00 | Joback Calculated Property |
| η | 0.0019412 | Pa×s | 322.34 | Joback Calculated Property |
| η | 0.0010632 | Pa×s | 362.68 | Joback Calculated Property |
| η | 0.0006569 | Pa×s | 403.02 | Joback Calculated Property |
| η | 0.0004431 | Pa×s | 443.36 | Joback Calculated Property |
| η | 0.0003191 | Pa×s | 483.70 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 524.04 | Joback Calculated Property |
| ΔvapH | 58.72 | kJ/mol | 315.57 | Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters |
Similar Compounds
Find more compounds similar to Butanoic acid, cyclohexyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters
- Joback Method
- McGowan Method
- NIST Webbook
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