Chemical Properties of 4-(1,1,3,3-Tetramethylbutyl)phenyl-3-methyl-1,3-butadienyl ether

InChI

InChI=1S/C19H28O/c1-15(2)12-13-20-17-10-8-16(9-11-17)19(6,7)14-18(3,4)5/h8-13H,1,14H2,2-7H3/b13-12+

InChI Key

FTDKMGTYCVOHRR-OUKQBFOZSA-N

Formula

C19H28O

SMILES

C=C(C)C=COc1ccc(C(C)(C)CC(C)(C)C)cc1

Molecular Weight¹

272.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 : 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°	272.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-127.29	kJ/mol	Joback Calculated Property
ΔfusH°	22.59	kJ/mol	Joback Calculated Property
ΔvapH°	60.01	kJ/mol	Joback Calculated Property
log10WS	-6.21		Crippen Calculated Property
logPoct/wat	5.869		Crippen Calculated Property
McVol	252.080	ml/mol	McGowan Calculated Property
Pc	1472.49	kPa	Joback Calculated Property
I	[2546.00; 2546.00]
I	2546.00		NIST
I	2546.00		NIST
Tboil	682.46	K	Joback Calculated Property
Tc	898.12	K	Joback Calculated Property
Tfus	349.10	K	Joback Calculated Property
Vc	0.950	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[699.50; 802.83]	J/mol×K	[682.46; 898.12]
Cp,gas	699.50	J/mol×K	682.46	Joback Calculated Property
Cp,gas	719.71	J/mol×K	718.40	Joback Calculated Property
Cp,gas	738.59	J/mol×K	754.35	Joback Calculated Property
Cp,gas	756.23	J/mol×K	790.29	Joback Calculated Property
Cp,gas	772.75	J/mol×K	826.23	Joback Calculated Property
Cp,gas	788.25	J/mol×K	862.18	Joback Calculated Property
Cp,gas	802.83	J/mol×K	898.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(1,1,3,3-Tetramethylbutyl)phenyl-3-methyl-1,3-butadienyl ether.

Sources

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

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