Chemical Properties of 2-Heptanol, 2,5-dimethyl

InChI

InChI=1S/C9H20O/c1-5-8(2)6-7-9(3,4)10/h8,10H,5-7H2,1-4H3

InChI Key

LVIFBEPHIBJBEU-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCC(C)CCC(C)(C)O

Molecular Weight¹

144.26

• 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.
• 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
ω	0.6325		Relay (1.0) Calculated Property
ΔfG°	-111.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-440.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.22	kJ/mol	Joback Calculated Property
ΔvapH°	65.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-2.29		Relay (1.0) Calculated Property
logPoct/wat	2.584		Crippen Calculated Property
McVol	143.540	ml/mol	McGowan Calculated Property
Pc	2595.13	kPa	Joback Calculated Property
Inp	[983.00; 983.00]
Inp	983.00		NIST
Inp	983.00		NIST
I	[1300.00; 1300.00]
I	1300.00		NIST
I	1300.00		NIST
Tboil	449.33	K	Relay (1.0) Calculated Property
Tc	625.04	K	Relay (1.0) Calculated Property
Tfus	230.38	K	Relay (1.0) Calculated Property
Vc	0.532	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.13; 504.32]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.61570e+01
Coefficient B			1.02458e+00
Coefficient C			-6.71200e-04
Coefficient D			1.77100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.13	J/mol×K	273.00	Calculated Property
Cp,gas	260.15	J/mol×K	353.78	Calculated Property
Cp,gas	306.86	J/mol×K	434.56	Calculated Property
Cp,gas	347.83	J/mol×K	515.33	Calculated Property
Cp,gas	383.61	J/mol×K	596.11	Calculated Property
Cp,gas	414.77	J/mol×K	676.89	Calculated Property
Cp,gas	441.85	J/mol×K	757.67	Calculated Property
Cp,gas	465.44	J/mol×K	838.44	Calculated Property
Cp,gas	486.07	J/mol×K	919.22	Calculated Property
Cp,gas	504.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1242076; 0.0002058]	Pa×s	[239.43; 465.62]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.52664e+01
Coefficient B			3.15583e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			239.43
Temperature range, max.			465.62
η	0.1242076	Pa×s	239.43	Calculated Property
η	0.0355118	Pa×s	264.56	Calculated Property
η	0.0126167	Pa×s	289.69	Calculated Property
η	0.0052878	Pa×s	314.83	Calculated Property
η	0.0025202	Pa×s	339.96	Calculated Property
η	0.0013302	Pa×s	365.09	Calculated Property
η	0.0007623	Pa×s	390.22	Calculated Property
η	0.0004673	Pa×s	415.35	Calculated Property
η	0.0003029	Pa×s	440.49	Calculated Property
η	0.0002058	Pa×s	465.62	Calculated Property

Similar Compounds

Find more compounds similar to 2-Heptanol, 2,5-dimethyl.

Sources

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

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