Chemical Properties of Dimethylmalonic acid, 2-isopropoxyphenyl pentadecyl ester

InChI

InChI=1S/C29H48O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-27(30)29(4,5)28(31)34-26-22-19-18-21-25(26)33-24(2)3/h18-19,21-22,24H,6-17,20,23H2,1-5H3

InChI Key

FWIWARHJUVZHJD-UHFFFAOYSA-N

Formula

C29H48O5

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

476.69

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2239		Relay (1.0) Calculated Property
ΔfG°	-276.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1162.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.34	kJ/mol	Joback Calculated Property
ΔvapH°	125.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-7.16		Relay (1.0) Calculated Property
logPoct/wat	8.040		Crippen Calculated Property
McVol	416.460	ml/mol	McGowan Calculated Property
Pc	778.51	kPa	Joback Calculated Property
Inp	[3075.00; 3075.00]
Inp	3075.00		NIST
Inp	3075.00		NIST
Tboil	667.15	K	Relay (1.0) Calculated Property
Tc	890.68	K	Relay (1.0) Calculated Property
Tfus	315.16	K	Relay (1.0) Calculated Property
Vc	1.577	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1461.72; 1538.53]	J/mol×K	[1065.91; 1311.45]
Cp,gas	1461.72	J/mol×K	1065.91	Joback Calculated Property
Cp,gas	1479.08	J/mol×K	1106.83	Joback Calculated Property
Cp,gas	1494.49	J/mol×K	1147.76	Joback Calculated Property
Cp,gas	1508.05	J/mol×K	1188.68	Joback Calculated Property
Cp,gas	1519.85	J/mol×K	1229.60	Joback Calculated Property
Cp,gas	1529.98	J/mol×K	1270.52	Joback Calculated Property
Cp,gas	1538.53	J/mol×K	1311.45	Joback Calculated Property
η	[0.0000071; 0.0001312]	Pa×s	[609.50; 1065.91]
η	0.0001312	Pa×s	609.50	Joback Calculated Property
η	0.0000615	Pa×s	685.57	Joback Calculated Property
η	0.0000336	Pa×s	761.64	Joback Calculated Property
η	0.0000204	Pa×s	837.70	Joback Calculated Property
η	0.0000135	Pa×s	913.77	Joback Calculated Property
η	0.0000095	Pa×s	989.84	Joback Calculated Property
η	0.0000071	Pa×s	1065.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-isopropoxyphenyl pentadecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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