Chemical Properties of 1,3-Dicaprin (CAS 17598-93-5)

InChI

InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-19-21(24)20-28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3

InChI Key

BPYWNJQNVNYQSQ-UHFFFAOYSA-N

Formula

C23H44O5

SMILES

CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC

Molecular Weight¹

400.59

CAS

17598-93-5

Other Names

• (3-decanoyloxy-2-hydroxypropyl) decanoate
• 2-hydroxypropane-1,3-diyl bis(decanoate)

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2944		Relay (1.0) Calculated Property
ΔfG°	-464.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1316.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.46	kJ/mol	Joback Calculated Property
ΔvapH°	126.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.91	eV	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	5.715		Crippen Calculated Property
McVol	355.680	ml/mol	McGowan Calculated Property
Pc	956.14	kPa	Joback Calculated Property
Inp	[2774.10; 2774.10]
Inp	2774.10		NIST
Inp	2774.10		NIST
Tboil	658.66	K	Relay (1.0) Calculated Property
Tc	831.35	K	Relay (1.0) Calculated Property
Tfus	330.33	K	Relay (1.0) Calculated Property
Vc	1.376	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1225.37; 1313.21]	J/mol×K	[969.96; 1198.35]
Cp,gas	1225.37	J/mol×K	969.96	Joback Calculated Property
Cp,gas	1243.95	J/mol×K	1008.03	Joback Calculated Property
Cp,gas	1260.89	J/mol×K	1046.09	Joback Calculated Property
Cp,gas	1276.24	J/mol×K	1084.16	Joback Calculated Property
Cp,gas	1290.04	J/mol×K	1122.22	Joback Calculated Property
Cp,gas	1302.35	J/mol×K	1160.29	Joback Calculated Property
Cp,gas	1313.21	J/mol×K	1198.35	Joback Calculated Property
η	[0.0000039; 0.0002359]	Pa×s	[539.11; 969.96]
η	0.0002359	Pa×s	539.11	Joback Calculated Property
η	0.0000798	Pa×s	610.92	Joback Calculated Property
η	0.0000339	Pa×s	682.73	Joback Calculated Property
η	0.0000170	Pa×s	754.53	Joback Calculated Property
η	0.0000096	Pa×s	826.34	Joback Calculated Property
η	0.0000059	Pa×s	898.15	Joback Calculated Property
η	0.0000039	Pa×s	969.96	Joback Calculated Property
Pvap	[1.00; 4.30]	kPa	[535.66; 565.39]
Pvap	1.00	kPa	535.66	Boiling Points of Short-Chain Partial Acylglycerols and Tocopherols at Low Pressures by the Differential Scanning Calorimetry Technique
Pvap	1.10	kPa	538.32	Boiling Points of Short-Chain Partial Acylglycerols and Tocopherols at Low Pressures by the Differential Scanning Calorimetry Technique
Pvap	1.50	kPa	544.06	Boiling Points of Short-Chain Partial Acylglycerols and Tocopherols at Low Pressures by the Differential Scanning Calorimetry Technique
Pvap	2.50	kPa	554.25	Boiling Points of Short-Chain Partial Acylglycerols and Tocopherols at Low Pressures by the Differential Scanning Calorimetry Technique
Pvap	3.10	kPa	558.74	Boiling Points of Short-Chain Partial Acylglycerols and Tocopherols at Low Pressures by the Differential Scanning Calorimetry Technique
Pvap	3.60	kPa	562.37	Boiling Points of Short-Chain Partial Acylglycerols and Tocopherols at Low Pressures by the Differential Scanning Calorimetry Technique
Pvap	4.30	kPa	565.39	Boiling Points of Short-Chain Partial Acylglycerols and Tocopherols at Low Pressures by the Differential Scanning Calorimetry Technique

Similar Compounds

Find more compounds similar to 1,3-Dicaprin.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Boiling Points of Short-Chain Partial Acylglycerols and Tocopherols at Low Pressures by the Differential Scanning Calorimetry Technique
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.