- InChI
- InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
- InChI Key
- RHGKLRLOHDJJDR-UHFFFAOYSA-N
- Formula
- C6H13N3O3
- SMILES
- NC(=O)NCCCC(N)C(=O)O
- Molecular Weight1
- 175.19
- CAS
- 627-77-0
- Other Names
-
- Citrulline
- Citrulline, (dl)
- DL-2-amino-5-ureidovaleric acid
- DL-Ornithine, N(5)-(aminocarbonyl)-
- L-citruline
- N5-aminocarbonyl-L-ornithine
- N5-carbamyl-ornithine
- Ornithine, N5-carbamoyl-, DL-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- 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).
- 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).
- S°solid,1 bar : Solid 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).
- 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 | 0.8873 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.153 | Crippen Calculated Property | |
| McVol | 134.350 | ml/mol | McGowan Calculated Property |
| Pc | 4815.84 | kPa | Joback Calculated Property |
| S°solid,1 bar | 254.40 | J/mol×K | NIST |
| Tboil | 571.42 | K | Relay (1.0) Calculated Property |
| Tc | 828.72 | K | Relay (1.0) Calculated Property |
| Tfus | 499.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.467 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.27; 424.65] | J/mol×K | [731.39; 932.93] | 
|
| Cp,gas | 382.27 | J/mol×K | 731.39 | Joback Calculated Property |
| Cp,gas | 390.63 | J/mol×K | 764.98 | Joback Calculated Property |
| Cp,gas | 398.45 | J/mol×K | 798.57 | Joback Calculated Property |
| Cp,gas | 405.74 | J/mol×K | 832.16 | Joback Calculated Property |
| Cp,gas | 412.52 | J/mol×K | 865.75 | Joback Calculated Property |
| Cp,gas | 418.82 | J/mol×K | 899.34 | Joback Calculated Property |
| Cp,gas | 424.65 | J/mol×K | 932.93 | Joback Calculated Property |
| Cp,solid | 232.80 | J/mol×K | 300.80 | NIST |
Similar Compounds
![Glutaramic acid, 2-[3-(2-chloroethyl)ureido]-, 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)
Find more compounds similar to dl-Citrulline.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubility and Solution Thermodynamics of the d Form of l-Citrulline in Water + Ethanol Binary Solvent Mixtures
- Joback Method
- McGowan Method
- NIST Webbook
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