Chemical Properties of 2,4-Heptanediol (CAS 20748-86-1)

InChI

InChI=1S/C7H16O2/c1-3-4-7(9)5-6(2)8/h6-9H,3-5H2,1-2H3

InChI Key

XVEOUOTUJBYHNL-UHFFFAOYSA-N

Formula

C7H16O2

SMILES

CCCC(O)CC(C)O

Molecular Weight¹

132.20

CAS

20748-86-1

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[299.79; 352.65]	J/mol×K	[543.24; 705.61]
Cp,gas	299.79	J/mol×K	543.24	Joback Calculated Property
Cp,gas	309.55	J/mol×K	570.30	Joback Calculated Property
Cp,gas	318.91	J/mol×K	597.36	Joback Calculated Property
Cp,gas	327.90	J/mol×K	624.42	Joback Calculated Property
Cp,gas	336.51	J/mol×K	651.48	Joback Calculated Property
Cp,gas	344.75	J/mol×K	678.55	Joback Calculated Property
Cp,gas	352.65	J/mol×K	705.61	Joback Calculated Property
η	[0.0000534; 0.4213623]	Pa×s	[260.29; 543.24]
η	0.4213623	Pa×s	260.29	Joback Calculated Property
η	0.0299909	Pa×s	307.45	Joback Calculated Property
η	0.0043110	Pa×s	354.61	Joback Calculated Property
η	0.0009771	Pa×s	401.76	Joback Calculated Property
η	0.0003025	Pa×s	448.92	Joback Calculated Property
η	0.0001170	Pa×s	496.08	Joback Calculated Property
η	0.0000534	Pa×s	543.24	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[393.57; 532.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.65701e+01
Coefficient B			-5.06608e+03
Coefficient C			-8.24320e+01
Temperature range, min.			393.57
Temperature range, max.			532.40
Pvap	1.33	kPa	393.57	Calculated Property
Pvap	2.88	kPa	409.00	Calculated Property
Pvap	5.79	kPa	424.42	Calculated Property
Pvap	10.98	kPa	439.85	Calculated Property
Pvap	19.73	kPa	455.27	Calculated Property
Pvap	33.86	kPa	470.70	Calculated Property
Pvap	55.74	kPa	486.12	Calculated Property
Pvap	88.47	kPa	501.55	Calculated Property
Pvap	135.87	kPa	516.97	Calculated Property
Pvap	202.63	kPa	532.40	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Heptanediol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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