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_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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1496.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.68	kJ/mol	Joback Calculated Property
ΔvapH°	129.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-6.24		Relay (1.0) Calculated Property
logPoct/wat	6.676		Crippen Calculated Property
McVol	399.520	ml/mol	McGowan Calculated Property
Pc	734.03	kPa	Joback Calculated Property
Inp	[2842.70; 2842.70]
Inp	2842.70		NIST
Inp	2842.70		NIST
Tboil	663.85	K	Relay (1.0) Calculated Property
Tc	826.96	K	Relay (1.0) Calculated Property
Tfus	287.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1369.99; 1451.29]	J/mol×K	[968.70; 1195.23]
Cp,gas	1369.99	J/mol×K	968.70	Joback Calculated Property
Cp,gas	1388.59	J/mol×K	1006.46	Joback Calculated Property
Cp,gas	1405.12	J/mol×K	1044.21	Joback Calculated Property
Cp,gas	1419.62	J/mol×K	1081.97	Joback Calculated Property
Cp,gas	1432.12	J/mol×K	1119.72	Joback Calculated Property
Cp,gas	1442.66	J/mol×K	1157.48	Joback Calculated Property
Cp,gas	1451.29	J/mol×K	1195.23	Joback Calculated Property
η	[0.0000089; 0.0004474]	Pa×s	[494.77; 968.70]
η	0.0004474	Pa×s	494.77	Joback Calculated Property
η	0.0001484	Pa×s	573.76	Joback Calculated Property
η	0.0000643	Pa×s	652.75	Joback Calculated Property
η	0.0000334	Pa×s	731.74	Joback Calculated Property
η	0.0000197	Pa×s	810.72	Joback Calculated Property
η	0.0000128	Pa×s	889.71	Joback Calculated Property
η	0.0000089	Pa×s	968.70	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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.
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