Chemical Properties of 1,3-Dicaprin

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

400.60

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_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
ΔfH°gas	-1316.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.63	kJ/mol	Joback Calculated Property
ΔvapH°	127.49	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	909.43	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	832.57	K	Relay (1.0) Calculated Property
Tfus	327.49	K	Relay (1.0) Calculated Property
Vc	1.376	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
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.26; 1241.35]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.64080e+01
Coefficient B			2.11914e+00
Coefficient C			-1.07180e-03
Coefficient D			1.57600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	538.26	J/mol×K	273.00	Calculated Property
Cp,gas	658.95	J/mol×K	353.78	Calculated Property
Cp,gas	767.83	J/mol×K	434.56	Calculated Property
Cp,gas	865.40	J/mol×K	515.33	Calculated Property
Cp,gas	952.17	J/mol×K	596.11	Calculated Property
Cp,gas	1028.63	J/mol×K	676.89	Calculated Property
Cp,gas	1095.28	J/mol×K	757.67	Calculated Property
Cp,gas	1152.62	J/mol×K	838.44	Calculated Property
Cp,gas	1201.14	J/mol×K	919.22	Calculated Property
Cp,gas	1241.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005129; 0.0000074]	Pa×s	[479.45; 805.65]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.80310e+01
Coefficient B			5.01297e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			479.45
Temperature range, max.			805.65
η	0.0005129	Pa×s	479.45	Calculated Property
η	0.0002460	Pa×s	515.69	Calculated Property
η	0.0001299	Pa×s	551.94	Calculated Property
η	0.0000742	Pa×s	588.18	Calculated Property
η	0.0000453	Pa×s	624.43	Calculated Property
η	0.0000291	Pa×s	660.67	Calculated Property
η	0.0000196	Pa×s	696.92	Calculated Property
η	0.0000138	Pa×s	733.16	Calculated Property
η	0.0000100	Pa×s	769.41	Calculated Property
η	0.0000074	Pa×s	805.65	Calculated Property

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

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