Chemical Properties of 2-Heptanol, 2,5-dimethyl (CAS 1561-18-8)

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

144.25

CAS

1561-18-8

• 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_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
ΔfG°	-111.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-395.35	kJ/mol	Joback Calculated Property
ΔfusH°	12.22	kJ/mol	Joback Calculated Property
ΔvapH°	50.62	kJ/mol	Joback Calculated Property
log10WS	-2.72		Crippen 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	493.83	K	Joback Calculated Property
Tc	664.90	K	Joback Calculated Property
Tfus	239.43	K	Joback Calculated Property
Vc	0.541	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.46; 410.41]	J/mol×K	[493.83; 664.90]
Cp,gas	337.46	J/mol×K	493.83	Joback Calculated Property
Cp,gas	351.13	J/mol×K	522.34	Joback Calculated Property
Cp,gas	364.17	J/mol×K	550.85	Joback Calculated Property
Cp,gas	376.59	J/mol×K	579.36	Joback Calculated Property
Cp,gas	388.42	J/mol×K	607.88	Joback Calculated Property
Cp,gas	399.69	J/mol×K	636.39	Joback Calculated Property
Cp,gas	410.41	J/mol×K	664.90	Joback Calculated Property
η	[0.0001397; 0.1242076]	Pa×s	[239.43; 493.83]
η	0.1242076	Pa×s	239.43	Joback Calculated Property
η	0.0170986	Pa×s	281.83	Joback Calculated Property
η	0.0039538	Pa×s	324.23	Joback Calculated Property
η	0.0012828	Pa×s	366.63	Joback Calculated Property
η	0.0005256	Pa×s	409.03	Joback Calculated Property
η	0.0002546	Pa×s	451.43	Joback Calculated Property
η	0.0001397	Pa×s	493.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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