Chemical Properties of 5- METHYL-2- PHENYL-1- HEXANYL ACETATE

InChI

InChI=1S/C15H22O2/c1-12(2)9-10-15(11-17-13(3)16)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3

InChI Key

SAVIONGKZKDADE-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

CC(=O)OCC(CCC(C)C)c1ccccc1

Molecular Weight¹

234.33

• 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 : 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°	-50.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-371.76	kJ/mol	Joback Calculated Property
ΔfusH°	24.39	kJ/mol	Joback Calculated Property
ΔvapH°	59.64	kJ/mol	Joback Calculated Property
log10WS	-3.79		Crippen Calculated Property
logPoct/wat	3.769		Crippen Calculated Property
McVol	205.890	ml/mol	McGowan Calculated Property
Pc	1949.23	kPa	Joback Calculated Property
I	[2029.00; 2029.00]
I	2029.00		NIST
I	2029.00		NIST
Tboil	644.69	K	Joback Calculated Property
Tc	849.49	K	Joback Calculated Property
Tfus	327.39	K	Joback Calculated Property
Vc	0.779	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.27; 637.40]	J/mol×K	[644.69; 849.49]
Cp,gas	547.27	J/mol×K	644.69	Joback Calculated Property
Cp,gas	564.75	J/mol×K	678.82	Joback Calculated Property
Cp,gas	581.20	J/mol×K	712.96	Joback Calculated Property
Cp,gas	596.67	J/mol×K	747.09	Joback Calculated Property
Cp,gas	611.16	J/mol×K	781.22	Joback Calculated Property
Cp,gas	624.73	J/mol×K	815.35	Joback Calculated Property
Cp,gas	637.40	J/mol×K	849.49	Joback Calculated Property
η	[0.0001178; 0.0032184]	Pa×s	[327.39; 644.69]
η	0.0032184	Pa×s	327.39	Joback Calculated Property
η	0.0012640	Pa×s	380.27	Joback Calculated Property
η	0.0006237	Pa×s	433.16	Joback Calculated Property
η	0.0003589	Pa×s	486.04	Joback Calculated Property
η	0.0002302	Pa×s	538.92	Joback Calculated Property
η	0.0001598	Pa×s	591.81	Joback Calculated Property
η	0.0001178	Pa×s	644.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5- METHYL-2- PHENYL-1- HEXANYL ACETATE.

Sources

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

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