Chemical Properties of Dimethylmalonic acid, hexadecyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C30H50O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-28(31)30(4,5)29(32)35-27-23-20-19-22-26(27)34-25(2)3/h19-20,22-23,25H,6-18,21,24H2,1-5H3

InChI Key

VRMQUQNACGGLIQ-UHFFFAOYSA-N

Formula

C30H50O5

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

490.71

• 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	1.2598		Relay (1.0) Calculated Property
ΔfG°	-267.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1183.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.93	kJ/mol	Joback Calculated Property
ΔvapH°	129.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-7.44		Relay (1.0) Calculated Property
logPoct/wat	8.430		Crippen Calculated Property
McVol	430.550	ml/mol	McGowan Calculated Property
Pc	738.42	kPa	Joback Calculated Property
Inp	[3174.00; 3174.00]
Inp	3174.00		NIST
Inp	3174.00		NIST
Tboil	674.07	K	Relay (1.0) Calculated Property
Tc	897.15	K	Relay (1.0) Calculated Property
Tfus	316.91	K	Relay (1.0) Calculated Property
Vc	1.631	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1525.07; 1601.69]	J/mol×K	[1088.79; 1344.16]
Cp,gas	1525.07	J/mol×K	1088.79	Joback Calculated Property
Cp,gas	1542.71	J/mol×K	1131.35	Joback Calculated Property
Cp,gas	1558.26	J/mol×K	1173.91	Joback Calculated Property
Cp,gas	1571.83	J/mol×K	1216.47	Joback Calculated Property
Cp,gas	1583.51	J/mol×K	1259.04	Joback Calculated Property
Cp,gas	1593.43	J/mol×K	1301.60	Joback Calculated Property
Cp,gas	1601.69	J/mol×K	1344.16	Joback Calculated Property
η	[0.0000060; 0.0001138]	Pa×s	[620.77; 1088.79]
η	0.0001138	Pa×s	620.77	Joback Calculated Property
η	0.0000530	Pa×s	698.77	Joback Calculated Property
η	0.0000287	Pa×s	776.78	Joback Calculated Property
η	0.0000174	Pa×s	854.78	Joback Calculated Property
η	0.0000115	Pa×s	932.78	Joback Calculated Property
η	0.0000081	Pa×s	1010.79	Joback Calculated Property
η	0.0000060	Pa×s	1088.79	Joback Calculated Property

Similar Compounds

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

Sources

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

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