Chemical Properties of 1-(3,4-Dimethoxyphenyl)decane-3,5-diyl diacetate (CAS 53254-52-7)

InChI

InChI=1S/C22H34O6/c1-6-7-8-9-19(27-16(2)23)15-20(28-17(3)24)12-10-18-11-13-21(25-4)22(14-18)26-5/h11,13-14,19-20H,6-10,12,15H2,1-5H3

InChI Key

QCJKXQWAFFZFLJ-UHFFFAOYSA-N

Formula

C22H34O6

SMILES

CCCCCC(CC(CCc1ccc(OC)c(OC)c1)OC(C)=O)OC(C)=O

Molecular Weight¹

394.50

CAS

53254-52-7

• 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°	-455.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1048.42	kJ/mol	Joback Calculated Property
ΔfusH°	46.90	kJ/mol	Joback Calculated Property
ΔvapH°	90.52	kJ/mol	Joback Calculated Property
log10WS	-5.49		Crippen Calculated Property
logPoct/wat	4.470		Crippen Calculated Property
McVol	323.700	ml/mol	McGowan Calculated Property
Pc	1145.21	kPa	Joback Calculated Property
Inp	[2554.10; 2554.10]
Inp	2554.10		NIST
Inp	2554.10		NIST
Tboil	935.94	K	Joback Calculated Property
Tc	1147.69	K	Joback Calculated Property
Tfus	547.94	K	Joback Calculated Property
Vc	1.232	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1056.37; 1124.10]	J/mol×K	[935.94; 1147.69]
Cp,gas	1056.37	J/mol×K	935.94	Joback Calculated Property
Cp,gas	1071.59	J/mol×K	971.23	Joback Calculated Property
Cp,gas	1085.24	J/mol×K	1006.52	Joback Calculated Property
Cp,gas	1097.32	J/mol×K	1041.82	Joback Calculated Property
Cp,gas	1107.83	J/mol×K	1077.11	Joback Calculated Property
Cp,gas	1116.75	J/mol×K	1112.40	Joback Calculated Property
Cp,gas	1124.10	J/mol×K	1147.69	Joback Calculated Property
η	[0.0000194; 0.0002477]	Pa×s	[547.94; 935.94]
η	0.0002477	Pa×s	547.94	Joback Calculated Property
η	0.0001294	Pa×s	612.61	Joback Calculated Property
η	0.0000765	Pa×s	677.27	Joback Calculated Property
η	0.0000496	Pa×s	741.94	Joback Calculated Property
η	0.0000345	Pa×s	806.61	Joback Calculated Property
η	0.0000253	Pa×s	871.27	Joback Calculated Property
η	0.0000194	Pa×s	935.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(3,4-Dimethoxyphenyl)decane-3,5-diyl diacetate.

Sources

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

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