Chemical Properties of 3-Heptanol, 2,2-dimethyl- (CAS 19549-70-3)

InChI

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

InChI Key

QENWAAAGDINHGE-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCCCC(O)C(C)(C)C

Molecular Weight¹

144.25

CAS

19549-70-3

Other Names

• 2,2-Dimethyl-3-heptanol

• 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).
• P_vap : Vapor 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
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	[814.00; 814.00]
Inp	814.00		NIST
Inp	814.00		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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[347.80; 494.88]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49191e+01
Coefficient B			-4.11543e+03
Coefficient C			-6.65280e+01
Temperature range, min.			347.80
Temperature range, max.			494.88
Pvap	1.33	kPa	347.80	Calculated Property
Pvap	2.98	kPa	364.14	Calculated Property
Pvap	6.12	kPa	380.48	Calculated Property
Pvap	11.70	kPa	396.83	Calculated Property
Pvap	21.05	kPa	413.17	Calculated Property
Pvap	35.92	kPa	429.51	Calculated Property
Pvap	58.54	kPa	445.85	Calculated Property
Pvap	91.64	kPa	462.20	Calculated Property
Pvap	138.44	kPa	478.54	Calculated Property
Pvap	202.66	kPa	494.88	Calculated Property

Similar Compounds

Find more compounds similar to 3-Heptanol, 2,2-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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