Chemical Properties of Dimethyl 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-dioate

InChI

InChI=1S/C22H42O13/c1-25-21(23)19-34-17-15-32-13-11-30-9-7-28-5-3-27-4-6-29-8-10-31-12-14-33-16-18-35-20-22(24)26-2/h3-20H2,1-2H3

InChI Key

NYAFCYGDUIRDMW-UHFFFAOYSA-N

Formula

C22H42O13

SMILES

COC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)OC

Molecular Weight¹

514.56

• 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°	-1278.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-2176.99	kJ/mol	Joback Calculated Property
ΔfusH°	69.00	kJ/mol	Joback Calculated Property
ΔvapH°	104.57	kJ/mol	Joback Calculated Property
log10WS	1.46		Crippen Calculated Property
logPoct/wat	-0.518		Crippen Calculated Property
McVol	388.550	ml/mol	McGowan Calculated Property
Pc	869.65	kPa	Joback Calculated Property
Inp	[3436.20; 3436.20]
Inp	3436.20		NIST
Inp	3436.20		NIST
Tboil	1057.12	K	Joback Calculated Property
Tc	1329.23	K	Joback Calculated Property
Tfus	682.09	K	Joback Calculated Property
Vc	1.478	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1344.05; 1372.71]	J/mol×K	[1057.12; 1329.23]
Cp,gas	1355.45	J/mol×K	1057.12	Joback Calculated Property
Cp,gas	1365.96	J/mol×K	1102.47	Joback Calculated Property
Cp,gas	1371.78	J/mol×K	1147.82	Joback Calculated Property
Cp,gas	1372.71	J/mol×K	1193.18	Joback Calculated Property
Cp,gas	1368.53	J/mol×K	1238.53	Joback Calculated Property
Cp,gas	1359.05	J/mol×K	1283.88	Joback Calculated Property
Cp,gas	1344.05	J/mol×K	1329.23	Joback Calculated Property
η	[0.0000024; 0.0000216]	Pa×s	[682.09; 1057.12]
η	0.0000216	Pa×s	682.09	Joback Calculated Property
η	0.0000129	Pa×s	744.60	Joback Calculated Property
η	0.0000083	Pa×s	807.10	Joback Calculated Property
η	0.0000057	Pa×s	869.61	Joback Calculated Property
η	0.0000041	Pa×s	932.11	Joback Calculated Property
η	0.0000031	Pa×s	994.61	Joback Calculated Property
η	0.0000024	Pa×s	1057.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-dioate.

Sources

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

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