Chemical Properties of 2-(Heptanoyloxy)propane-1,3-diyl dioctanoate (CAS 1204770-16-0)

InChI

InChI=1S/C26H48O6/c1-4-7-10-13-16-18-24(27)30-21-23(32-26(29)20-15-12-9-6-3)22-31-25(28)19-17-14-11-8-5-2/h23H,4-22H2,1-3H3

InChI Key

DGYZDFDBZWEASX-UHFFFAOYSA-N

Formula

C26H48O6

SMILES

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

Molecular Weight¹

456.66

CAS

1204770-16-0

• 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).
• 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°	-536.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1319.65	kJ/mol	Joback Calculated Property
ΔfusH°	67.93	kJ/mol	Joback Calculated Property
ΔvapH°	100.55	kJ/mol	Joback Calculated Property
log10WS	-7.41		Crippen Calculated Property
logPoct/wat	6.676		Crippen Calculated Property
McVol	399.520	ml/mol	McGowan Calculated Property
Pc	785.51	kPa	Joback Calculated Property
Inp	[2842.70; 2842.70]
Inp	2842.70		NIST
Inp	2842.70		NIST
Tboil	1022.71	K	Joback Calculated Property
Tc	1267.51	K	Joback Calculated Property
Tfus	584.26	K	Joback Calculated Property
Vc	1.558	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1395.14; 1474.57]	J/mol×K	[1022.71; 1267.51]
Cp,gas	1395.14	J/mol×K	1022.71	Joback Calculated Property
Cp,gas	1413.78	J/mol×K	1063.51	Joback Calculated Property
Cp,gas	1430.19	J/mol×K	1104.31	Joback Calculated Property
Cp,gas	1444.44	J/mol×K	1145.11	Joback Calculated Property
Cp,gas	1456.56	J/mol×K	1185.91	Joback Calculated Property
Cp,gas	1466.58	J/mol×K	1226.71	Joback Calculated Property
Cp,gas	1474.57	J/mol×K	1267.51	Joback Calculated Property
η	[0.0000134; 0.0002341]	Pa×s	[584.26; 1022.71]
η	0.0002341	Pa×s	584.26	Joback Calculated Property
η	0.0001114	Pa×s	657.34	Joback Calculated Property
η	0.0000615	Pa×s	730.41	Joback Calculated Property
η	0.0000379	Pa×s	803.49	Joback Calculated Property
η	0.0000253	Pa×s	876.56	Joback Calculated Property
η	0.0000179	Pa×s	949.63	Joback Calculated Property
η	0.0000134	Pa×s	1022.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(Heptanoyloxy)propane-1,3-diyl dioctanoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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