Chemical Properties of 1,3-Dioctanoin (CAS 1429-66-9)

InChI

InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-15-17(20)16-24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3

InChI Key

DMBAVJVECSKEPF-UHFFFAOYSA-N

Formula

C19H36O5

SMILES

CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC

Molecular Weight¹

344.49

CAS

1429-66-9

Other Names

• 2-hydroxypropane-1,3-diyl dioctanoate
• glycerol 1,3-dicaprylate
• octanoic acid, 1,1'-(2-hydroxy-1,3-propanediyl) ester

• 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).
• 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
ΔfG°	-498.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1082.60	kJ/mol	Joback Calculated Property
ΔfusH°	51.10	kJ/mol	Joback Calculated Property
ΔvapH°	92.49	kJ/mol	Joback Calculated Property
log10WS	-4.88		Crippen Calculated Property
logPoct/wat	4.155		Crippen Calculated Property
McVol	299.320	ml/mol	McGowan Calculated Property
Pc	1231.15	kPa	Joback Calculated Property
Inp	[2375.70; 2375.70]
Inp	2375.70		NIST
Inp	2375.70		NIST
Tboil	878.44	K	Joback Calculated Property
Tc	1075.60	K	Joback Calculated Property
Tfus	494.03	K	Joback Calculated Property
Vc	1.161	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[979.17; 1060.34]	J/mol×K	[878.44; 1075.60]
Cp,gas	979.17	J/mol×K	878.44	Joback Calculated Property
Cp,gas	995.44	J/mol×K	911.30	Joback Calculated Property
Cp,gas	1010.59	J/mol×K	944.16	Joback Calculated Property
Cp,gas	1024.63	J/mol×K	977.02	Joback Calculated Property
Cp,gas	1037.59	J/mol×K	1009.88	Joback Calculated Property
Cp,gas	1049.49	J/mol×K	1042.74	Joback Calculated Property
Cp,gas	1060.34	J/mol×K	1075.60	Joback Calculated Property
η	[0.0000083; 0.0004866]	Pa×s	[494.03; 878.44]
η	0.0004866	Pa×s	494.03	Joback Calculated Property
η	0.0001674	Pa×s	558.10	Joback Calculated Property
η	0.0000717	Pa×s	622.17	Joback Calculated Property
η	0.0000360	Pa×s	686.24	Joback Calculated Property
η	0.0000203	Pa×s	750.30	Joback Calculated Property
η	0.0000126	Pa×s	814.37	Joback Calculated Property
η	0.0000083	Pa×s	878.44	Joback Calculated Property
Pvap	[1.10; 13.20]	kPa	[511.93; 567.73]
Pvap	1.10	kPa	511.93	Boiling...
Pvap	1.50	kPa	517.23	Boiling...
Pvap	2.50	kPa	529.42	Boiling...
Pvap	3.10	kPa	533.36	Boiling...
Pvap	3.60	kPa	538.14	Boiling...
Pvap	4.30	kPa	541.18	Boiling...
Pvap	6.80	kPa	552.59	Boiling...
Pvap	10.10	kPa	560.35	Boiling...
Pvap	13.20	kPa	567.73	Boiling...

Similar Compounds

Find more compounds similar to 1,3-Dioctanoin.

Sources

• 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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