Chemical Properties of 1,4-Heptadien-3-ol, 3-methyl-6-(4-methylphenyl)

InChI

InChI=1S/C15H20O/c1-5-15(4,16)11-10-13(3)14-8-6-12(2)7-9-14/h5-11,13,16H,1H2,2-4H3/b11-10+

InChI Key

PWPWYHFOHOPRRH-ZHACJKMWSA-N

Formula

C15H20O

SMILES

C=CC(C)(O)C=CC(C)c1ccc(C)cc1

Molecular Weight¹

216.32

• 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	0.5970		Relay (1.0) Calculated Property
ΔfG°	209.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-111.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.33	kJ/mol	Joback Calculated Property
ΔvapH°	82.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-3.51		Relay (1.0) Calculated Property
logPoct/wat	3.592		Crippen Calculated Property
McVol	195.720	ml/mol	McGowan Calculated Property
Pc	2206.22	kPa	Joback Calculated Property
Inp	[1510.00; 1510.00]
Inp	1510.00		NIST
Inp	1510.00		NIST
Tboil	556.09	K	Relay (1.0) Calculated Property
Tc	771.11	K	Relay (1.0) Calculated Property
Tfus	323.13	K	Relay (1.0) Calculated Property
Vc	0.683	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[519.14; 596.32]	J/mol×K	[663.61; 869.55]
Cp,gas	519.14	J/mol×K	663.61	Joback Calculated Property
Cp,gas	534.17	J/mol×K	697.93	Joback Calculated Property
Cp,gas	548.23	J/mol×K	732.26	Joback Calculated Property
Cp,gas	561.40	J/mol×K	766.58	Joback Calculated Property
Cp,gas	573.75	J/mol×K	800.90	Joback Calculated Property
Cp,gas	585.37	J/mol×K	835.22	Joback Calculated Property
Cp,gas	596.32	J/mol×K	869.55	Joback Calculated Property
η	[0.0000321; 0.0058689]	Pa×s	[339.15; 663.61]
η	0.0058689	Pa×s	339.15	Joback Calculated Property
η	0.0013556	Pa×s	393.23	Joback Calculated Property
η	0.0004463	Pa×s	447.30	Joback Calculated Property
η	0.0001867	Pa×s	501.38	Joback Calculated Property
η	0.0000925	Pa×s	555.46	Joback Calculated Property
η	0.0000520	Pa×s	609.53	Joback Calculated Property
η	0.0000321	Pa×s	663.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Heptadien-3-ol, 3-methyl-6-(4-methylphenyl).

Sources

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

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